![4-[(Benzenesulfonyl)methyl]benzoic acid structure](/static/products/7196/71964-92-6.webp)
4-[(Benzenesulfonyl)methyl]benzoic acid
TL;DR: 4-[(Benzenesulfonyl)methyl]benzoic acid (CAS 71964-92-6) is a chemical compound with molecular formula C14H12O4S and molecular weight 276.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(benzenesulfonylmethyl)benzoic acid
Also Known As: 4-[(phenylsulfonyl)methyl]benzoic acid, 4-[(benzenesulfonyl)methyl]benzoic acid, 4-((Phenylsulfonyl)methyl)benzoic acid, 4-(benzenesulfonylmethyl)benzoic acid, Benzoic acid, 4-[(phenylsulfonyl)methyl]-
| Molecular Formula | C14H12O4S |
|---|---|
| Molecular Weight | 276.05 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 79.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 276.04562 |
| Heavy Atoms | 19 |
| Complexity | 396.0 |
Chemical Identifiers
| CAS Number | 71964-92-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)CC2=CC=C(C=C2)C(=O)O |
| InChIKey | CYBINHVOGSRTSE-UHFFFAOYSA-N |
Product Overview
4-[(Benzenesulfonyl)methyl]benzoic acid (CAS 71964-92-6), with molecular formula C14H12O4S and molecular weight 276.05 g/mol. IUPAC: 4-(benzenesulfonylmethyl)benzoic acid.
Chemical Property Profile of 4-[(Benzenesulfonyl)methyl]benzoic acid
Property Insights of 4-[(Benzenesulfonyl)methyl]benzoic acid
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(Benzenesulfonyl)methyl]benzoic acid. The TPSA of 79.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(Benzenesulfonyl)methyl]benzoic acid. Following Lipinski's Rule of Five, 4-[(Benzenesulfonyl)methyl]benzoic acid has 1 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-[(Benzenesulfonyl)methyl]benzoic acid?
The CAS number of 4-[(Benzenesulfonyl)methyl]benzoic acid is 71964-92-6.
What is the molecular formula of 4-[(Benzenesulfonyl)methyl]benzoic acid?
The molecular formula of 4-[(Benzenesulfonyl)methyl]benzoic acid is C14H12O4S.
What is the molecular weight of 4-[(Benzenesulfonyl)methyl]benzoic acid?
The molecular weight of 4-[(Benzenesulfonyl)methyl]benzoic acid is 276.05 g/mol.
Where can I buy 4-[(Benzenesulfonyl)methyl]benzoic acid?
You can request a quote for 4-[(Benzenesulfonyl)methyl]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-[(Benzenesulfonyl)methyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[(Benzenesulfonyl)methyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.