![4-[[[3-(2-Carboxyethenyl)phenyl]amino]sulfonyl]benzoic acid structure](/static/products/3219/321979-12-8.webp)
4-[[[3-(2-Carboxyethenyl)phenyl]amino]sulfonyl]benzoic acid
TL;DR: 4-[[[3-(2-Carboxyethenyl)phenyl]amino]sulfonyl]benzoic acid (CAS 321979-12-8) is a chemical compound with molecular formula C16H13NO6S and molecular weight 347.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[3-(2-carboxyethenyl)phenyl]sulfamoyl]benzoic acid
Also Known As: BAS 01259251, 4-[[[3-(2-Carboxyethenyl)phenyl]amino]sulfonyl]benzoic acid, 4-{[3-(2-Carboxyethenyl)phenyl]sulfamoyl}benzoic acid, 4-[[3-(3-hydroxy-3-oxoprop-1-enyl)phenyl]sulfamoyl]benzoic acid, Benzoic acid, 4-[[[3-(2-carboxyethenyl)phenyl]amino]sulfonyl]-
| Molecular Formula | C16H13NO6S |
|---|---|
| Molecular Weight | 347.05 g/mol |
| LogP | 2.2834 |
| Topological Polar Surface Area | 120.77 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 347.04636 |
| Heavy Atoms | 24 |
| Complexity | 900.4198 |
Chemical Identifiers
| CAS Number | 321979-12-8 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NS(=O)(=O)C2=CC=C(C=C2)C(=O)O)C=CC(=O)O |
Product Overview
4-[[[3-(2-Carboxyethenyl)phenyl]amino]sulfonyl]benzoic acid (CAS 321979-12-8), with molecular formula C16H13NO6S and molecular weight 347.05 g/mol. IUPAC: 4-[[3-(2-carboxyethenyl)phenyl]sulfamoyl]benzoic acid.
Chemical Property Profile of 4-[[[3-(2-Carboxyethenyl)phenyl]amino]sulfonyl]benzoic acid
Property Insights of 4-[[[3-(2-Carboxyethenyl)phenyl]amino]sulfonyl]benzoic acid
The XLogP value of 2.2834 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[[[3-(2-Carboxyethenyl)phenyl]amino]sulfonyl]benzoic acid. The TPSA of 120.77 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[[[3-(2-Carboxyethenyl)phenyl]amino]sulfonyl]benzoic acid. Following Lipinski's Rule of Five, 4-[[[3-(2-Carboxyethenyl)phenyl]amino]sulfonyl]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 4-[[[3-(2-Carboxyethenyl)phenyl]amino]sulfonyl]benzoic acid?
The CAS number of 4-[[[3-(2-Carboxyethenyl)phenyl]amino]sulfonyl]benzoic acid is 321979-12-8.
What is the molecular formula of 4-[[[3-(2-Carboxyethenyl)phenyl]amino]sulfonyl]benzoic acid?
The molecular formula of 4-[[[3-(2-Carboxyethenyl)phenyl]amino]sulfonyl]benzoic acid is C16H13NO6S.
What is the molecular weight of 4-[[[3-(2-Carboxyethenyl)phenyl]amino]sulfonyl]benzoic acid?
The molecular weight of 4-[[[3-(2-Carboxyethenyl)phenyl]amino]sulfonyl]benzoic acid is 347.05 g/mol.
Where can I buy 4-[[[3-(2-Carboxyethenyl)phenyl]amino]sulfonyl]benzoic acid?
You can request a quote for 4-[[[3-(2-Carboxyethenyl)phenyl]amino]sulfonyl]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[[[3-(2-Carboxyethenyl)phenyl]amino]sulfonyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[[[3-(2-Carboxyethenyl)phenyl]amino]sulfonyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.