2-Methanesulfonylbenzoic acid
TL;DR: 2-Methanesulfonylbenzoic acid (CAS 34172-50-4) is a chemical compound with molecular formula C8H8O4S and molecular weight 200.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylsulfonylbenzoic acid
Also Known As: 2-(methylsulfonyl)benzoic acid, 2-methylsulfonylbenzoic acid, 2-methanesulfonylbenzoic acid, o-mesylbenzoic acid, 2-Mesylbenzoic acid
| Molecular Formula | C8H8O4S |
|---|---|
| Molecular Weight | 200.01 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 79.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 200.01433 |
| Heavy Atoms | 13 |
| Complexity | 288.0 |
Chemical Identifiers
| CAS Number | 34172-50-4 |
|---|---|
| SMILES | CS(=O)(=O)C1=CC=CC=C1C(=O)O |
| InChIKey | BZSXEZOLBIJVQK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methanesulfonylbenzoic acid (CAS 34172-50-4), with molecular formula C8H8O4S and molecular weight 200.01 g/mol. IUPAC: 2-methylsulfonylbenzoic acid.
Chemical Property Profile of 2-Methanesulfonylbenzoic acid
Property Insights of 2-Methanesulfonylbenzoic acid
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methanesulfonylbenzoic acid. The TPSA of 79.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methanesulfonylbenzoic acid. Following Lipinski's Rule of Five, 2-Methanesulfonylbenzoic 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 2-Methanesulfonylbenzoic acid?
The CAS number of 2-Methanesulfonylbenzoic acid is 34172-50-4.
What is the molecular formula of 2-Methanesulfonylbenzoic acid?
The molecular formula of 2-Methanesulfonylbenzoic acid is C8H8O4S.
What is the molecular weight of 2-Methanesulfonylbenzoic acid?
The molecular weight of 2-Methanesulfonylbenzoic acid is 200.01 g/mol.
Where can I buy 2-Methanesulfonylbenzoic acid?
You can request a quote for 2-Methanesulfonylbenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methanesulfonylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Methanesulfonylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.