4-Phenylmethanesulfonylbenzoic acid
TL;DR: 4-Phenylmethanesulfonylbenzoic acid (CAS 70793-11-2) 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-benzylsulfonylbenzoic acid
Also Known As: 4-phenylmethanesulfonylbenzoic acid, 4-benzylsulfonylbenzoic acid, 4-(benzylsulfonyl)benzoic acid, ChemDiv2_001098, 4-Phenylmethanesulfonyl-benzoic acid
| Molecular Formula | C14H12O4S |
|---|---|
| Molecular Weight | 276.05 g/mol |
| LogP | 2.3587 |
| Topological Polar Surface Area | 71.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 276.04562 |
| Heavy Atoms | 19 |
| Complexity | 673.1457 |
Chemical Identifiers
| CAS Number | 70793-11-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CS(=O)(=O)C2=CC=C(C=C2)C(=O)O |
Product Overview
4-Phenylmethanesulfonylbenzoic acid (CAS 70793-11-2), with molecular formula C14H12O4S and molecular weight 276.05 g/mol. IUPAC: 4-benzylsulfonylbenzoic acid.
Chemical Property Profile of 4-Phenylmethanesulfonylbenzoic acid
Property Insights of 4-Phenylmethanesulfonylbenzoic acid
The XLogP value of 2.3587 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Phenylmethanesulfonylbenzoic acid. The TPSA of 71.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Phenylmethanesulfonylbenzoic acid. Following Lipinski's Rule of Five, 4-Phenylmethanesulfonylbenzoic acid has 1 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 4-Phenylmethanesulfonylbenzoic acid?
The CAS number of 4-Phenylmethanesulfonylbenzoic acid is 70793-11-2.
What is the molecular formula of 4-Phenylmethanesulfonylbenzoic acid?
The molecular formula of 4-Phenylmethanesulfonylbenzoic acid is C14H12O4S.
What is the molecular weight of 4-Phenylmethanesulfonylbenzoic acid?
The molecular weight of 4-Phenylmethanesulfonylbenzoic acid is 276.05 g/mol.
Where can I buy 4-Phenylmethanesulfonylbenzoic acid?
You can request a quote for 4-Phenylmethanesulfonylbenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Phenylmethanesulfonylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Phenylmethanesulfonylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.