3-(Chlorosulfonyl)-2,6-difluorobenzoic acid
TL;DR: 3-(Chlorosulfonyl)-2,6-difluorobenzoic acid (CAS 142576-91-8) is a chemical compound with molecular formula C7H3ClF2O4S and molecular weight 255.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chlorosulfonyl-2,6-difluorobenzoic acid
Also Known As: 3-(chlorosulfonyl)-2,6-difluorobenzoic acid, 3-chlorosulfonyl-2,6-difluorobenzoic acid, 3-Chlorosulfonyl-2,6-difluoro-benzoic acid, Benzoic acid, 3-(chlorosulfonyl)-2,6-difluoro-, Benzoic acid, 3-chlorosulfonyl-2,6-difluoro-
| Molecular Formula | C7H3ClF2O4S |
|---|---|
| Molecular Weight | 255.94 g/mol |
| LogP | 1.5905 |
| Topological Polar Surface Area | 71.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 255.94086 |
| Heavy Atoms | 15 |
| Complexity | 526.03687 |
Chemical Identifiers
| CAS Number | 142576-91-8 |
|---|---|
| SMILES | C1=CC(=C(C(=C1F)C(=O)O)F)S(=O)(=O)Cl |
Product Overview
3-(Chlorosulfonyl)-2,6-difluorobenzoic acid (CAS 142576-91-8), with molecular formula C7H3ClF2O4S and molecular weight 255.94 g/mol. IUPAC: 3-chlorosulfonyl-2,6-difluorobenzoic acid.
Chemical Property Profile of 3-(Chlorosulfonyl)-2,6-difluorobenzoic acid
Property Insights of 3-(Chlorosulfonyl)-2,6-difluorobenzoic acid
The XLogP value of 1.5905 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Chlorosulfonyl)-2,6-difluorobenzoic acid. The TPSA of 71.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Chlorosulfonyl)-2,6-difluorobenzoic acid. Following Lipinski's Rule of Five, 3-(Chlorosulfonyl)-2,6-difluorobenzoic 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)-2,6-difluorobenzoic acid?
The CAS number of 3-(Chlorosulfonyl)-2,6-difluorobenzoic acid is 142576-91-8.
What is the molecular formula of 3-(Chlorosulfonyl)-2,6-difluorobenzoic acid?
The molecular formula of 3-(Chlorosulfonyl)-2,6-difluorobenzoic acid is C7H3ClF2O4S.
What is the molecular weight of 3-(Chlorosulfonyl)-2,6-difluorobenzoic acid?
The molecular weight of 3-(Chlorosulfonyl)-2,6-difluorobenzoic acid is 255.94 g/mol.
Where can I buy 3-(Chlorosulfonyl)-2,6-difluorobenzoic acid?
You can request a quote for 3-(Chlorosulfonyl)-2,6-difluorobenzoic 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)-2,6-difluorobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(Chlorosulfonyl)-2,6-difluorobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.