Benzoic acid, 2-((3-(trifluoromethyl)phenyl)sulfonyl)-
TL;DR: Benzoic acid, 2-((3-(trifluoromethyl)phenyl)sulfonyl)- (CAS 58844-74-9) is a chemical compound with molecular formula C14H9F3O4S and molecular weight 330.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(trifluoromethyl)phenyl]sulfonylbenzoic acid
Also Known As: 2-((3-(Trifluoromethyl)phenyl)sulfonyl)benzoic acid, Benzoic acid, 2-((3-(trifluoromethyl)phenyl)sulfonyl)-, o-((alpha,alpha,alpha-Trifluoro-m-tolyl)sulfonyl)benzoic acid, 2-[(3-Trifluoromethylphenyl)sulfonyl]benzoic acid, 2-[3-(trifluoromethyl)benzenesulfonyl]benzoic acid
| Molecular Formula | C14H9F3O4S |
|---|---|
| Molecular Weight | 330.02 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 79.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 330.01736 |
| Heavy Atoms | 22 |
| Complexity | 509.0 |
Chemical Identifiers
| CAS Number | 58844-74-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)O)S(=O)(=O)C2=CC=CC(=C2)C(F)(F)F |
| InChIKey | MQADOUMJDICQDA-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 2-((3-(trifluoromethyl)phenyl)sulfonyl)- (CAS 58844-74-9), with molecular formula C14H9F3O4S and molecular weight 330.02 g/mol. IUPAC: 2-[3-(trifluoromethyl)phenyl]sulfonylbenzoic acid.
Chemical Property Profile of Benzoic acid, 2-((3-(trifluoromethyl)phenyl)sulfonyl)-
Property Insights of Benzoic acid, 2-((3-(trifluoromethyl)phenyl)sulfonyl)-
The XLogP value of 4.0 indicates that Benzoic acid, 2-((3-(trifluoromethyl)phenyl)sulfonyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 2-((3-(trifluoromethyl)phenyl)sulfonyl)-. Following Lipinski's Rule of Five, Benzoic acid, 2-((3-(trifluoromethyl)phenyl)sulfonyl)- has 1 hydrogen bond donor(s) and 7 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 Benzoic acid, 2-((3-(trifluoromethyl)phenyl)sulfonyl)-?
The CAS number of Benzoic acid, 2-((3-(trifluoromethyl)phenyl)sulfonyl)- is 58844-74-9.
What is the molecular formula of Benzoic acid, 2-((3-(trifluoromethyl)phenyl)sulfonyl)-?
The molecular formula of Benzoic acid, 2-((3-(trifluoromethyl)phenyl)sulfonyl)- is C14H9F3O4S.
What is the molecular weight of Benzoic acid, 2-((3-(trifluoromethyl)phenyl)sulfonyl)-?
The molecular weight of Benzoic acid, 2-((3-(trifluoromethyl)phenyl)sulfonyl)- is 330.02 g/mol.
Where can I buy Benzoic acid, 2-((3-(trifluoromethyl)phenyl)sulfonyl)-?
You can request a quote for Benzoic acid, 2-((3-(trifluoromethyl)phenyl)sulfonyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 2-((3-(trifluoromethyl)phenyl)sulfonyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2-((3-(trifluoromethyl)phenyl)sulfonyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.