3-(Phenylsulfonyl)benzoic acid
TL;DR: 3-(Phenylsulfonyl)benzoic acid (CAS 30795-23-4) is a chemical compound with molecular formula C13H10O4S and molecular weight 262.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(benzenesulfonyl)benzoic acid
Also Known As: 3-(Phenylsulfonyl)benzoic acid, 3-(benzenesulfonyl)benzoic acid, Benzoic acid,3-(phenylsulfonyl)-, 3-Benzolsulfonyl-benzoesaeure, m-(Phenylsulfonyl)benzoic acid
| Molecular Formula | C13H10O4S |
|---|---|
| Molecular Weight | 262.03 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 79.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 262.02997 |
| Heavy Atoms | 18 |
| Complexity | 390.0 |
Chemical Identifiers
| CAS Number | 30795-23-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)O |
| InChIKey | MAVYXMCSVGUDEZ-UHFFFAOYSA-N |
Product Overview
3-(Phenylsulfonyl)benzoic acid (CAS 30795-23-4), with molecular formula C13H10O4S and molecular weight 262.03 g/mol. IUPAC: 3-(benzenesulfonyl)benzoic acid.
Chemical Property Profile of 3-(Phenylsulfonyl)benzoic acid
Property Insights of 3-(Phenylsulfonyl)benzoic acid
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Phenylsulfonyl)benzoic acid. The TPSA of 79.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Phenylsulfonyl)benzoic acid. Following Lipinski's Rule of Five, 3-(Phenylsulfonyl)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 3-(Phenylsulfonyl)benzoic acid?
The CAS number of 3-(Phenylsulfonyl)benzoic acid is 30795-23-4.
What is the molecular formula of 3-(Phenylsulfonyl)benzoic acid?
The molecular formula of 3-(Phenylsulfonyl)benzoic acid is C13H10O4S.
What is the molecular weight of 3-(Phenylsulfonyl)benzoic acid?
The molecular weight of 3-(Phenylsulfonyl)benzoic acid is 262.03 g/mol.
Where can I buy 3-(Phenylsulfonyl)benzoic acid?
You can request a quote for 3-(Phenylsulfonyl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Phenylsulfonyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(Phenylsulfonyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.