4-Difluoromethanesulfonylbenzoic acid
TL;DR: 4-Difluoromethanesulfonylbenzoic acid (CAS 4837-22-3) is a chemical compound with molecular formula C8H6F2O4S and molecular weight 236.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(difluoromethylsulfonyl)benzoic acid
Also Known As: 4-((Difluoromethyl)sulfonyl)benzoic acid, 4-(DIFLUORO-METHANESULFONYL)-BENZOIC ACID, 4-(difluoromethylsulfonyl)benzoic Acid, 4-difluoromethanesulfonylbenzoic acid, 4-[(difluoromethyl)sulfonyl]benzoic acid
| Molecular Formula | C8H6F2O4S |
|---|---|
| Molecular Weight | 236.00 g/mol |
| LogP | 1.3811 |
| Topological Polar Surface Area | 71.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 235.99548 |
| Heavy Atoms | 15 |
| Complexity | 463.91995 |
Chemical Identifiers
| CAS Number | 4837-22-3 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)O)S(=O)(=O)C(F)F |
Product Overview
4-Difluoromethanesulfonylbenzoic acid (CAS 4837-22-3), with molecular formula C8H6F2O4S and molecular weight 236.00 g/mol. IUPAC: 4-(difluoromethylsulfonyl)benzoic acid.
Chemical Property Profile of 4-Difluoromethanesulfonylbenzoic acid
Property Insights of 4-Difluoromethanesulfonylbenzoic acid
The XLogP value of 1.3811 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Difluoromethanesulfonylbenzoic acid. The TPSA of 71.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Difluoromethanesulfonylbenzoic acid. Following Lipinski's Rule of Five, 4-Difluoromethanesulfonylbenzoic 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 4-Difluoromethanesulfonylbenzoic acid?
The CAS number of 4-Difluoromethanesulfonylbenzoic acid is 4837-22-3.
What is the molecular formula of 4-Difluoromethanesulfonylbenzoic acid?
The molecular formula of 4-Difluoromethanesulfonylbenzoic acid is C8H6F2O4S.
What is the molecular weight of 4-Difluoromethanesulfonylbenzoic acid?
The molecular weight of 4-Difluoromethanesulfonylbenzoic acid is 236.00 g/mol.
Where can I buy 4-Difluoromethanesulfonylbenzoic acid?
You can request a quote for 4-Difluoromethanesulfonylbenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Difluoromethanesulfonylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Difluoromethanesulfonylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.