4-Trifluoromethanesulfonylbenzoic acid
TL;DR: 4-Trifluoromethanesulfonylbenzoic acid (CAS 312-22-1) is a chemical compound with molecular formula C8H5F3O4S and molecular weight 253.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(trifluoromethylsulfonyl)benzoic acid
Also Known As: 4-(trifluoromethylsulfonyl)benzoic Acid, 4-((Trifluoromethyl)sulfonyl)benzoic acid, 4-trifluoromethanesulfonylbenzoic acid, 4-[(trifluoromethyl)sulfonyl]benzoic acid, Benzoic acid, 4-[(trifluoromethyl)sulfonyl]-
| Molecular Formula | C8H5F3O4S |
|---|---|
| Molecular Weight | 253.99 g/mol |
| LogP | 1.6783 |
| Topological Polar Surface Area | 71.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 253.98607 |
| Heavy Atoms | 16 |
| Complexity | 501.0801 |
Chemical Identifiers
| CAS Number | 312-22-1 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)O)S(=O)(=O)C(F)(F)F |
Product Overview
4-Trifluoromethanesulfonylbenzoic acid (CAS 312-22-1), with molecular formula C8H5F3O4S and molecular weight 253.99 g/mol. IUPAC: 4-(trifluoromethylsulfonyl)benzoic acid.
Chemical Property Profile of 4-Trifluoromethanesulfonylbenzoic acid
Property Insights of 4-Trifluoromethanesulfonylbenzoic acid
The XLogP value of 1.6783 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Trifluoromethanesulfonylbenzoic acid. The TPSA of 71.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Trifluoromethanesulfonylbenzoic acid. Following Lipinski's Rule of Five, 4-Trifluoromethanesulfonylbenzoic 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-Trifluoromethanesulfonylbenzoic acid?
The CAS number of 4-Trifluoromethanesulfonylbenzoic acid is 312-22-1.
What is the molecular formula of 4-Trifluoromethanesulfonylbenzoic acid?
The molecular formula of 4-Trifluoromethanesulfonylbenzoic acid is C8H5F3O4S.
What is the molecular weight of 4-Trifluoromethanesulfonylbenzoic acid?
The molecular weight of 4-Trifluoromethanesulfonylbenzoic acid is 253.99 g/mol.
Where can I buy 4-Trifluoromethanesulfonylbenzoic acid?
You can request a quote for 4-Trifluoromethanesulfonylbenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Trifluoromethanesulfonylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Trifluoromethanesulfonylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.