Benzoic acid, o-(phenylsulfonyl)-
TL;DR: Benzoic acid, o-(phenylsulfonyl)- (CAS 58844-73-8) 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.
2-(benzenesulfonyl)benzoic acid
Also Known As: 2-(benzenesulfonyl)benzoic acid, 2-(Phenylsulfonyl)benzoic acid, BENZOIC ACID, o-(PHENYLSULFONYL)-, o-(Phenylsulfonyl)benzoic acid, 2-Benzolsulfonyl-benzoesaeure
| 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 | 58844-73-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)C2=CC=CC=C2C(=O)O |
| InChIKey | KTSLUOKXJWWOJR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzoic acid, o-(phenylsulfonyl)- (CAS 58844-73-8), with molecular formula C13H10O4S and molecular weight 262.03 g/mol. IUPAC: 2-(benzenesulfonyl)benzoic acid.
Chemical Property Profile of Benzoic acid, o-(phenylsulfonyl)-
Property Insights of Benzoic acid, o-(phenylsulfonyl)-
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, o-(phenylsulfonyl)-. The TPSA of 79.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, o-(phenylsulfonyl)-. Following Lipinski's Rule of Five, Benzoic acid, o-(phenylsulfonyl)- 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 Benzoic acid, o-(phenylsulfonyl)-?
The CAS number of Benzoic acid, o-(phenylsulfonyl)- is 58844-73-8.
What is the molecular formula of Benzoic acid, o-(phenylsulfonyl)-?
The molecular formula of Benzoic acid, o-(phenylsulfonyl)- is C13H10O4S.
What is the molecular weight of Benzoic acid, o-(phenylsulfonyl)-?
The molecular weight of Benzoic acid, o-(phenylsulfonyl)- is 262.03 g/mol.
Where can I buy Benzoic acid, o-(phenylsulfonyl)-?
You can request a quote for Benzoic acid, o-(phenylsulfonyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, o-(phenylsulfonyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, o-(phenylsulfonyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.