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Benzisoxazoles

Aromatic organic heterocyclic compounds that consist of benzene fused with an isoxazole; isoxazoles are an azole with an oxygen atom next to the nitrogen atom.
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1

1,2-Benzisoxazol-3-amine, 97%, Thermo Scientific™

CAS: 36216-80-5 Molecular Formula: C7H6N2O Molecular Weight (g/mol): 134.14 InChI Key: NLMVYUBGWZWUGB-UHFFFAOYSA-N Synonym: 1,2-benzisoxazol-3-amine,benzo d isoxazol-3-amine,3-amino-1,2-benzisoxazole,benzo d isoxazol-3-ylamine,1,2-benzoisoxazol-3-amine,benzo d isoxazole-3-ylamine,aminobenzisoxazole,amino-benzoisoxazole,zlchem 93,3-aminobenzisoxazole PubChem CID: 2779749 IUPAC Name: 1,2-benzoxazol-3-amine SMILES: C1=CC=C2C(=C1)C(=NO2)N

PubChem CID 2779749
CAS 36216-80-5
Molecular Weight (g/mol) 134.14
SMILES C1=CC=C2C(=C1)C(=NO2)N
Synonym 1,2-benzisoxazol-3-amine,benzo d isoxazol-3-amine,3-amino-1,2-benzisoxazole,benzo d isoxazol-3-ylamine,1,2-benzoisoxazol-3-amine,benzo d isoxazole-3-ylamine,aminobenzisoxazole,amino-benzoisoxazole,zlchem 93,3-aminobenzisoxazole
IUPAC Name 1,2-benzoxazol-3-amine
InChI Key NLMVYUBGWZWUGB-UHFFFAOYSA-N
Molecular Formula C7H6N2O
2

1,2-Benzisoxazole, 95%

CAS: 271-95-4 Molecular Formula: C7H5NO Molecular Weight (g/mol): 119.123 MDL Number: MFCD00005852 InChI Key: KTZQTRPPVKQPFO-UHFFFAOYSA-N Synonym: 1,2-benzisoxazole,benzo d isoxazole,indoxazene,benzisoxazole,benz d isoxazole,4,5-benzisoxazole,1-oxa-2-aza-1h-indene,benzoisoxazole,indoxazine,isoindoxazine PubChem CID: 71073 ChEBI: CHEBI:51554 IUPAC Name: 1,2-benzoxazole SMILES: C1=CC=C2C(=C1)C=NO2

PubChem CID 71073
CAS 271-95-4
Molecular Weight (g/mol) 119.123
ChEBI CHEBI:51554
MDL Number MFCD00005852
SMILES C1=CC=C2C(=C1)C=NO2
Synonym 1,2-benzisoxazole,benzo d isoxazole,indoxazene,benzisoxazole,benz d isoxazole,4,5-benzisoxazole,1-oxa-2-aza-1h-indene,benzoisoxazole,indoxazine,isoindoxazine
IUPAC Name 1,2-benzoxazole
InChI Key KTZQTRPPVKQPFO-UHFFFAOYSA-N
Molecular Formula C7H5NO
3

5-bromo-1,2-benzisoxazol-3-ylamine, 97%, Thermo Scientific™

CAS: 455280-00-9 Molecular Formula: C7H5BrN2O Molecular Weight (g/mol): 213.03 MDL Number: MFCD09834823 InChI Key: BGMYWBQEKIMHGU-UHFFFAOYSA-N Synonym: 5-bromobenzo d isoxazol-3-ylamine,5-bromobenzo d isoxazol-3-amine,5-bromo-1,2-benzisoxazol-3-ylamine,1,2-benzisoxazol-3-amine, 5-bromo,3-amino-5-bromobenzo d isoxazole,5-bromobenzo d isoxazole-3-ylamine,5-bromanyl-1,2-benzoxazol-3-amine,1,2-benzisoxazol-3-amine,5-bromo PubChem CID: 33589610 IUPAC Name: 5-bromo-1,2-benzoxazol-3-amine SMILES: NC1=NOC2=CC=C(Br)C=C12

PubChem CID 33589610
CAS 455280-00-9
Molecular Weight (g/mol) 213.03
MDL Number MFCD09834823
SMILES NC1=NOC2=CC=C(Br)C=C12
Synonym 5-bromobenzo d isoxazol-3-ylamine,5-bromobenzo d isoxazol-3-amine,5-bromo-1,2-benzisoxazol-3-ylamine,1,2-benzisoxazol-3-amine, 5-bromo,3-amino-5-bromobenzo d isoxazole,5-bromobenzo d isoxazole-3-ylamine,5-bromanyl-1,2-benzoxazol-3-amine,1,2-benzisoxazol-3-amine,5-bromo
IUPAC Name 5-bromo-1,2-benzoxazol-3-amine
InChI Key BGMYWBQEKIMHGU-UHFFFAOYSA-N
Molecular Formula C7H5BrN2O
4

Zonisamide

CAS: 68291-97-4 Molecular Formula: C8H8N2O3S Molecular Weight (g/mol): 212.22 MDL Number: MFCD00865316 InChI Key: UBQNRHZMVUUOMG-UHFFFAOYSA-N IUPAC Name: (1,2-benzoxazol-3-yl)methanesulfonamide SMILES: NS(=O)(=O)CC1=NOC2=CC=CC=C12

CAS 68291-97-4
Molecular Weight (g/mol) 212.22
MDL Number MFCD00865316
SMILES NS(=O)(=O)CC1=NOC2=CC=CC=C12
IUPAC Name (1,2-benzoxazol-3-yl)methanesulfonamide
InChI Key UBQNRHZMVUUOMG-UHFFFAOYSA-N
Molecular Formula C8H8N2O3S
5

5-Fluoro-3-(4-piperidinyl)-1,2-benzisoxazole hydrochloride, 96%

CAS: 84163-16-6 Molecular Formula: C12H14ClFN2O Molecular Weight (g/mol): 256.705 MDL Number: MFCD06200879 InChI Key: HSOJFILHZZEWJT-UHFFFAOYSA-N Synonym: 5-fluoro-3-piperidin-4-yl benzo d isoxazole hydrochloride,5-fluoro-3-piperidin-4-yl-1,2-benzisoxazole hydrochloride,5-fluoro-3-4-piperidinyl-1,2-benzisoxazole hydrochloride,5-fluoro-3-piperidin-4-yl-1,2-benzoxazole hydrochloride,5-fluoro-3-piperidin-4-yl benzo d isoxazole hcl,4-5-fluoro-1,2-benzisoxazol-3-yl piperidine hydrochloride,1,2-benzisoxazole,5-fluoro-3-4-piperidinyl-, hydrochloride,pubchem11469,5-fluoro-3-piperidin-4-yl benzisoxazole hcl salt,5-fluoro-3-4-piperidyl benzo d isoxazole, chloride PubChem CID: 2794754 IUPAC Name: 5-fluoro-3-piperidin-4-yl-1,2-benzoxazole;hydrochloride SMILES: C1CNCCC1C2=NOC3=C2C=C(C=C3)F.Cl

PubChem CID 2794754
CAS 84163-16-6
Molecular Weight (g/mol) 256.705
MDL Number MFCD06200879
SMILES C1CNCCC1C2=NOC3=C2C=C(C=C3)F.Cl
Synonym 5-fluoro-3-piperidin-4-yl benzo d isoxazole hydrochloride,5-fluoro-3-piperidin-4-yl-1,2-benzisoxazole hydrochloride,5-fluoro-3-4-piperidinyl-1,2-benzisoxazole hydrochloride,5-fluoro-3-piperidin-4-yl-1,2-benzoxazole hydrochloride,5-fluoro-3-piperidin-4-yl benzo d isoxazole hcl,4-5-fluoro-1,2-benzisoxazol-3-yl piperidine hydrochloride,1,2-benzisoxazole,5-fluoro-3-4-piperidinyl-, hydrochloride,pubchem11469,5-fluoro-3-piperidin-4-yl benzisoxazole hcl salt,5-fluoro-3-4-piperidyl benzo d isoxazole, chloride
IUPAC Name 5-fluoro-3-piperidin-4-yl-1,2-benzoxazole;hydrochloride
InChI Key HSOJFILHZZEWJT-UHFFFAOYSA-N
Molecular Formula C12H14ClFN2O
6

eMolecules​ Oakwood Chemicals tert-Butyl 4-bromobenzoate 250mg 486554874 036928 0 000 59247-47-1 MFCD00093266 257 127 C11H13BrO2

Oakwood Chemicals tert-Butyl 4-bromobenzoate 250mg 486554874 036928 0 000 59247-47-1 MFCD00093266 257 127 C11H13BrO2

ENCOMPASS_PREFERRED
7

Sigma Aldrich 2-Amino-4-(trifluoromethyl)benzoic acid

MilliporeSigma Sigma Organics products encompass a wide range of quality reagents, solvents, catalysts, and building blocks for organic synthesis. From benchtop discovery to process development and scale-up, Sigma Organics solutions are built to meet the needs of synthetic chemists.

ENCOMPASS ENCOMPASS_PREFERRED
CAS 402-13-1
8

Sigma Aldrich Fine Chemicals Biosciences Zonisamide Related Compound C United States Pharmacopeia (USP) Reference Standard | 1217201-89-2 | 20MG

Zonisamide Related Compound C United States Pharmacopeia (USP) Reference Standard | Mol Wt: 267.3 | 1217201-89-2 | 20MG

ENCOMPASS
9

Cayman Chemical Benzisoxazole Hsp90 Inhibitor
SDP

An Hsp90 inhibitor (IC50 = 30 nM in a fluorescence polarization assay); selective for Hsp90 over a panel of kinases (IC50s = >20 µM); inhibits the proliferation of HCT116, SK-BR-3, LNCaP, DU145, and H157 cancer cells (IC50s = 0.28, 0.37, 0.17, 0.29, and 0.23 µM, respectively); induces degradation of HER2 and the androgen receptor in SK-BR-3 and LNCaP cells, respectively (IC50 = 0.33 µM for both)

ENCOMPASS_PREFERRED
10

Cayman Chemical Benzisoxazole Hsp90 Inhibitor
SDP

An Hsp90 inhibitor (IC50 = 30 nM in a fluorescence polarization assay); selective for Hsp90 over a panel of kinases (IC50s = >20 µM); inhibits the proliferation of HCT116, SK-BR-3, LNCaP, DU145, and H157 cancer cells (IC50s = 0.28, 0.37, 0.17, 0.29, and 0.23 µM, respectively); induces degradation of HER2 and the androgen receptor in SK-BR-3 and LNCaP cells, respectively (IC50 = 0.33 µM for both)

ENCOMPASS_PREFERRED
11

Cayman Chemical Benzisoxazole Hsp90 Inhibitor
SDP

An Hsp90 inhibitor (IC50 = 30 nM in a fluorescence polarization assay); selective for Hsp90 over a panel of kinases (IC50s = >20 µM); inhibits the proliferation of HCT116, SK-BR-3, LNCaP, DU145, and H157 cancer cells (IC50s = 0.28, 0.37, 0.17, 0.29, and 0.23 µM, respectively); induces degradation of HER2 and the androgen receptor in SK-BR-3 and LNCaP cells, respectively (IC50 = 0.33 µM for both)

ENCOMPASS_PREFERRED
12

Medchemexpress LLC 2-amino-5-bromobenzophenone | 39859-36-4 | MFCD00059962 | 99.8% | 276.13 g/mol | C13H10BrNO | 5 G
SDP

2-amino-5-bromobenzophenone is a brominated benzophenone derivative used as an intermediate in organic and pharmaceutical synthesis. It is commonly used in research for building chemical libraries and preparing substituted benzophenone derivatives.

  • Used as a synthesis intermediate in pharmaceutical chemistry.
  • High purity suitable for analytical and synthetic applications.
  • Available in multiple package sizes for small-scale research.
  • Chemical formula C13H10BrNO and molecular weight 276.13 g/mol.
  • CAS number 39859-36-4 for unambiguous identification.

ENCOMPASS_PREFERRED
13

Medchemexpress LLC 1-(7-Bromobenzo[d]dioxol-4-yl)ethan-1-one | 1892297-27-6 | 243.06 | 500 MG
SDP

1-(7-Bromobenzo[d]dioxol-4-yl)ethan-1-one is a drug intermediate used for the synthesis of various active compounds. It serves as a versatile building block in chemical synthesis.

  • Utilized as a drug intermediate
  • Supports the synthesis of various active compounds

ENCOMPASS_PREFERRED
14

Medchemexpress LLC 4-Amino-3-bromobenzoic acid | 6311-37-1 | 216.03 | 5 G
SDP

4-Amino-3-bromobenzoic acid is a biochemical reagent intended for research use only.

  • For laboratory chemical use and substance manufacturing
  • Solid appearance
  • White to off-white color
  • Molecular formula: C7H6BrNO2
  • Melting point: 211-215°C
  • Boiling point: 368.5°C at 760 mmHg

ENCOMPASS_PREFERRED
15

eMolecules​ 1,2-Benzisoxazole | 271-95-4 | MFCD00005852 | 5g

Combi-Blocks | 1,2-Benzisoxazole | 5g | 482935603 | OR-9958 | 95.000 | 271-95-4 | MFCD00005852 | 119.123 | C7H5NO

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