![3-[(Benzylamino)sulfonyl]-4-bromobenzoic acid structure](/static/products/3127/312758-94-4.webp)
3-[(Benzylamino)sulfonyl]-4-bromobenzoic acid
TL;DR: 3-[(Benzylamino)sulfonyl]-4-bromobenzoic acid (CAS 312758-94-4) is a chemical compound with molecular formula C14H12BrNO4S and molecular weight 368.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(benzylsulfamoyl)-4-bromobenzoic acid
Also Known As: 3-(benzylsulfamoyl)-4-bromobenzoic acid, 3-[(benzylamino)sulfonyl]-4-bromobenzoic acid, 3-Benzylsulfamoyl-4-bromo-benzoic acid, BAS 00315569, 3-benzylsulfamoyl-4-broMOBEnzoic acid
| Molecular Formula | C14H12BrNO4S |
|---|---|
| Molecular Weight | 368.97 g/mol |
| LogP | 2.6258 |
| Topological Polar Surface Area | 83.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 368.96704 |
| Heavy Atoms | 21 |
| Complexity | 759.7984 |
Chemical Identifiers
| CAS Number | 312758-94-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNS(=O)(=O)C2=C(C=CC(=C2)C(=O)O)Br |
Product Overview
3-[(Benzylamino)sulfonyl]-4-bromobenzoic acid (CAS 312758-94-4), with molecular formula C14H12BrNO4S and molecular weight 368.97 g/mol. IUPAC: 3-(benzylsulfamoyl)-4-bromobenzoic acid.
Chemical Property Profile of 3-[(Benzylamino)sulfonyl]-4-bromobenzoic acid
Property Insights of 3-[(Benzylamino)sulfonyl]-4-bromobenzoic acid
The XLogP value of 2.6258 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(Benzylamino)sulfonyl]-4-bromobenzoic acid. The TPSA of 83.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(Benzylamino)sulfonyl]-4-bromobenzoic acid. Following Lipinski's Rule of Five, 3-[(Benzylamino)sulfonyl]-4-bromobenzoic acid has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-[(Benzylamino)sulfonyl]-4-bromobenzoic acid?
The CAS number of 3-[(Benzylamino)sulfonyl]-4-bromobenzoic acid is 312758-94-4.
What is the molecular formula of 3-[(Benzylamino)sulfonyl]-4-bromobenzoic acid?
The molecular formula of 3-[(Benzylamino)sulfonyl]-4-bromobenzoic acid is C14H12BrNO4S.
What is the molecular weight of 3-[(Benzylamino)sulfonyl]-4-bromobenzoic acid?
The molecular weight of 3-[(Benzylamino)sulfonyl]-4-bromobenzoic acid is 368.97 g/mol.
Where can I buy 3-[(Benzylamino)sulfonyl]-4-bromobenzoic acid?
You can request a quote for 3-[(Benzylamino)sulfonyl]-4-bromobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(Benzylamino)sulfonyl]-4-bromobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[(Benzylamino)sulfonyl]-4-bromobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.