![2-[[4-Bromo-3-[(4-methylphenyl)sulfamoyl]benzoyl]amino]benzoic acid structure](/static/products/3316/331653-67-9.webp)
2-[[4-Bromo-3-[(4-methylphenyl)sulfamoyl]benzoyl]amino]benzoic acid
TL;DR: 2-[[4-Bromo-3-[(4-methylphenyl)sulfamoyl]benzoyl]amino]benzoic acid (CAS 331653-67-9) is a chemical compound with molecular formula C21H17BrN2O5S and molecular weight 488.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-bromo-3-[(4-methylphenyl)sulfamoyl]benzoyl]amino]benzoic acid
Also Known As: 2-(4-bromo-3-(n-p-tolylsulfamoyl)benzamido)benzoic acid, 2-[[4-bromo-3-[(4-methylphenyl)sulfamoyl]benzoyl]amino]benzoic acid, 2-{[4-bromo-3-(4-toluidinosulfonyl)benzoyl]amino}benzoic acid
| Molecular Formula | C21H17BrN2O5S |
|---|---|
| Molecular Weight | 488.00 g/mol |
| LogP | 4.50882 |
| Topological Polar Surface Area | 112.57 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 488.00415 |
| Heavy Atoms | 30 |
| Complexity | 1224.399 |
Chemical Identifiers
| CAS Number | 331653-67-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)NC3=CC=CC=C3C(=O)O)Br |
Product Overview
2-[[4-Bromo-3-[(4-methylphenyl)sulfamoyl]benzoyl]amino]benzoic acid (CAS 331653-67-9), with molecular formula C21H17BrN2O5S and molecular weight 488.00 g/mol. IUPAC: 2-[[4-bromo-3-[(4-methylphenyl)sulfamoyl]benzoyl]amino]benzoic acid.
Chemical Property Profile of 2-[[4-Bromo-3-[(4-methylphenyl)sulfamoyl]benzoyl]amino]benzoic acid
Property Insights of 2-[[4-Bromo-3-[(4-methylphenyl)sulfamoyl]benzoyl]amino]benzoic acid
The XLogP value of 4.50882 indicates that 2-[[4-Bromo-3-[(4-methylphenyl)sulfamoyl]benzoyl]amino]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.57 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[[4-Bromo-3-[(4-methylphenyl)sulfamoyl]benzoyl]amino]benzoic acid. Following Lipinski's Rule of Five, 2-[[4-Bromo-3-[(4-methylphenyl)sulfamoyl]benzoyl]amino]benzoic acid has 3 hydrogen bond donor(s) and 4 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 2-[[4-Bromo-3-[(4-methylphenyl)sulfamoyl]benzoyl]amino]benzoic acid?
The CAS number of 2-[[4-Bromo-3-[(4-methylphenyl)sulfamoyl]benzoyl]amino]benzoic acid is 331653-67-9.
What is the molecular formula of 2-[[4-Bromo-3-[(4-methylphenyl)sulfamoyl]benzoyl]amino]benzoic acid?
The molecular formula of 2-[[4-Bromo-3-[(4-methylphenyl)sulfamoyl]benzoyl]amino]benzoic acid is C21H17BrN2O5S.
What is the molecular weight of 2-[[4-Bromo-3-[(4-methylphenyl)sulfamoyl]benzoyl]amino]benzoic acid?
The molecular weight of 2-[[4-Bromo-3-[(4-methylphenyl)sulfamoyl]benzoyl]amino]benzoic acid is 488.00 g/mol.
Where can I buy 2-[[4-Bromo-3-[(4-methylphenyl)sulfamoyl]benzoyl]amino]benzoic acid?
You can request a quote for 2-[[4-Bromo-3-[(4-methylphenyl)sulfamoyl]benzoyl]amino]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[[4-Bromo-3-[(4-methylphenyl)sulfamoyl]benzoyl]amino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[[4-Bromo-3-[(4-methylphenyl)sulfamoyl]benzoyl]amino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.