2-Fluoro-5-chlorosulfonylbenzoic acid
TL;DR: 2-Fluoro-5-chlorosulfonylbenzoic acid (CAS 37098-75-2) is a chemical compound with molecular formula C7H4ClFO4S and molecular weight 237.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chlorosulfonyl-2-fluorobenzoic acid
Also Known As: 5-(chlorosulfonyl)-2-fluorobenzoic acid, 5-chlorosulfonyl-2-fluorobenzoic acid, 2-Fluoro-5-(chlorosulfonyl)benzoic acid, 5-Chlorosulfonyl-2-fluoro-benzoic acid, 5- -2-fluorobenzoicacid
| Molecular Formula | C7H4ClFO4S |
|---|---|
| Molecular Weight | 237.95 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 79.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 237.95029 |
| Heavy Atoms | 14 |
| Complexity | 323.0 |
Chemical Identifiers
| CAS Number | 37098-75-2 |
|---|---|
| SMILES | C1=CC(=C(C=C1S(=O)(=O)Cl)C(=O)O)F |
| InChIKey | CISMZCVQNVNWJW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Fluoro-5-chlorosulfonylbenzoic acid (CAS 37098-75-2), with molecular formula C7H4ClFO4S and molecular weight 237.95 g/mol. IUPAC: 5-chlorosulfonyl-2-fluorobenzoic acid.
Chemical Property Profile of 2-Fluoro-5-chlorosulfonylbenzoic acid
Property Insights of 2-Fluoro-5-chlorosulfonylbenzoic acid
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Fluoro-5-chlorosulfonylbenzoic acid. The TPSA of 79.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Fluoro-5-chlorosulfonylbenzoic acid. Following Lipinski's Rule of Five, 2-Fluoro-5-chlorosulfonylbenzoic acid has 1 hydrogen bond donor(s) and 5 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-Fluoro-5-chlorosulfonylbenzoic acid?
The CAS number of 2-Fluoro-5-chlorosulfonylbenzoic acid is 37098-75-2.
What is the molecular formula of 2-Fluoro-5-chlorosulfonylbenzoic acid?
The molecular formula of 2-Fluoro-5-chlorosulfonylbenzoic acid is C7H4ClFO4S.
What is the molecular weight of 2-Fluoro-5-chlorosulfonylbenzoic acid?
The molecular weight of 2-Fluoro-5-chlorosulfonylbenzoic acid is 237.95 g/mol.
Where can I buy 2-Fluoro-5-chlorosulfonylbenzoic acid?
You can request a quote for 2-Fluoro-5-chlorosulfonylbenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Fluoro-5-chlorosulfonylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Fluoro-5-chlorosulfonylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.