4-Chloro-3-fluorosulfonylbenzoic acid
TL;DR: 4-Chloro-3-fluorosulfonylbenzoic acid (CAS 2494-80-6) 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.
4-chloro-3-fluorosulfonylbenzoic acid
Also Known As: 4-chloro-3-fluorosulfonylbenzoic acid, 4-CHLORO-3-(FLUOROSULFONYL)BENZOIC ACID, 4-CHLORO-3-(FLUOROSULFONYL)BENZOICACID
| Molecular Formula | C7H4ClFO4S |
|---|---|
| Molecular Weight | 237.95 g/mol |
| LogP | 1.9 |
| 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 | 2494-80-6 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(=O)O)S(=O)(=O)F)Cl |
| InChIKey | OCCARFCMLHJVFB-UHFFFAOYSA-N |
Product Overview
4-Chloro-3-fluorosulfonylbenzoic acid (CAS 2494-80-6), with molecular formula C7H4ClFO4S and molecular weight 237.95 g/mol. IUPAC: 4-chloro-3-fluorosulfonylbenzoic acid.
Chemical Property Profile of 4-Chloro-3-fluorosulfonylbenzoic acid
Property Insights of 4-Chloro-3-fluorosulfonylbenzoic acid
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-3-fluorosulfonylbenzoic acid. The TPSA of 79.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Chloro-3-fluorosulfonylbenzoic acid. Following Lipinski's Rule of Five, 4-Chloro-3-fluorosulfonylbenzoic 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 4-Chloro-3-fluorosulfonylbenzoic acid?
The CAS number of 4-Chloro-3-fluorosulfonylbenzoic acid is 2494-80-6.
What is the molecular formula of 4-Chloro-3-fluorosulfonylbenzoic acid?
The molecular formula of 4-Chloro-3-fluorosulfonylbenzoic acid is C7H4ClFO4S.
What is the molecular weight of 4-Chloro-3-fluorosulfonylbenzoic acid?
The molecular weight of 4-Chloro-3-fluorosulfonylbenzoic acid is 237.95 g/mol.
Where can I buy 4-Chloro-3-fluorosulfonylbenzoic acid?
You can request a quote for 4-Chloro-3-fluorosulfonylbenzoic 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-fluorosulfonylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-3-fluorosulfonylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.