4-Chloro-3-methanesulfonylbenzoic acid
TL;DR: 4-Chloro-3-methanesulfonylbenzoic acid (CAS 51522-07-7) is a chemical compound with molecular formula C8H7ClO4S and molecular weight 233.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-3-methylsulfonylbenzoic acid
Also Known As: 4-chloro-3-(methylsulfonyl)benzoic acid, 4-chloro-3-methylsulfonylbenzoic acid, 4-Chloro-3-methanesulfonylbenzoic acid, 4-chloro-3-methylsulfonyl-benzoic Acid, 4-chloro-3-methylsulfonyl-benzoicacid
| Molecular Formula | C8H7ClO4S |
|---|---|
| Molecular Weight | 233.98 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 79.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 233.97536 |
| Heavy Atoms | 14 |
| Complexity | 319.0 |
Chemical Identifiers
| CAS Number | 51522-07-7 |
|---|---|
| SMILES | CS(=O)(=O)C1=C(C=CC(=C1)C(=O)O)Cl |
| InChIKey | ZWBQTUAUWSDCKX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Chloro-3-methanesulfonylbenzoic acid (CAS 51522-07-7), with molecular formula C8H7ClO4S and molecular weight 233.98 g/mol. IUPAC: 4-chloro-3-methylsulfonylbenzoic acid.
Chemical Property Profile of 4-Chloro-3-methanesulfonylbenzoic acid
Property Insights of 4-Chloro-3-methanesulfonylbenzoic acid
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-3-methanesulfonylbenzoic acid. The TPSA of 79.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Chloro-3-methanesulfonylbenzoic acid. Following Lipinski's Rule of Five, 4-Chloro-3-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 4-Chloro-3-methanesulfonylbenzoic acid?
The CAS number of 4-Chloro-3-methanesulfonylbenzoic acid is 51522-07-7.
What is the molecular formula of 4-Chloro-3-methanesulfonylbenzoic acid?
The molecular formula of 4-Chloro-3-methanesulfonylbenzoic acid is C8H7ClO4S.
What is the molecular weight of 4-Chloro-3-methanesulfonylbenzoic acid?
The molecular weight of 4-Chloro-3-methanesulfonylbenzoic acid is 233.98 g/mol.
Where can I buy 4-Chloro-3-methanesulfonylbenzoic acid?
You can request a quote for 4-Chloro-3-methanesulfonylbenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-3-methanesulfonylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-3-methanesulfonylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.