3-(Chlorosulfonyl)-4-fluorobenzoic acid
TL;DR: 3-(Chlorosulfonyl)-4-fluorobenzoic acid (CAS 2267-40-5) 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.
3-chlorosulfonyl-4-fluorobenzoic acid
Also Known As: 3-(chlorosulfonyl)-4-fluorobenzoic acid, 3-chlorosulfonyl-4-fluoro-benzoic Acid, 3-chlorosulfonyl-4-fluorobenzoic acid, 2-CYCLOHEXYLPHENOL, BENZOIC ACID, 3-(CHLOROSULFONYL)-4-FLUORO-
| Molecular Formula | C7H4ClFO4S |
|---|---|
| Molecular Weight | 237.95 g/mol |
| LogP | 1.4514 |
| Topological Polar Surface Area | 71.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 237.95029 |
| Heavy Atoms | 14 |
| Complexity | 482.4632 |
Chemical Identifiers
| CAS Number | 2267-40-5 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(=O)O)S(=O)(=O)Cl)F |
Product Overview
3-(Chlorosulfonyl)-4-fluorobenzoic acid (CAS 2267-40-5), with molecular formula C7H4ClFO4S and molecular weight 237.95 g/mol. IUPAC: 3-chlorosulfonyl-4-fluorobenzoic acid.
Chemical Property Profile of 3-(Chlorosulfonyl)-4-fluorobenzoic acid
Property Insights of 3-(Chlorosulfonyl)-4-fluorobenzoic acid
The XLogP value of 1.4514 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Chlorosulfonyl)-4-fluorobenzoic acid. The TPSA of 71.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Chlorosulfonyl)-4-fluorobenzoic acid. Following Lipinski's Rule of Five, 3-(Chlorosulfonyl)-4-fluorobenzoic acid has 1 hydrogen bond donor(s) and 3 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 3-(Chlorosulfonyl)-4-fluorobenzoic acid?
The CAS number of 3-(Chlorosulfonyl)-4-fluorobenzoic acid is 2267-40-5.
What is the molecular formula of 3-(Chlorosulfonyl)-4-fluorobenzoic acid?
The molecular formula of 3-(Chlorosulfonyl)-4-fluorobenzoic acid is C7H4ClFO4S.
What is the molecular weight of 3-(Chlorosulfonyl)-4-fluorobenzoic acid?
The molecular weight of 3-(Chlorosulfonyl)-4-fluorobenzoic acid is 237.95 g/mol.
Where can I buy 3-(Chlorosulfonyl)-4-fluorobenzoic acid?
You can request a quote for 3-(Chlorosulfonyl)-4-fluorobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Chlorosulfonyl)-4-fluorobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(Chlorosulfonyl)-4-fluorobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.