2-(3-Trifluoromethylphenyl)benzoic acid
TL;DR: 2-(3-Trifluoromethylphenyl)benzoic acid (CAS 408367-99-7) is a chemical compound with molecular formula C14H9F3O2 and molecular weight 266.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(trifluoromethyl)phenyl]benzoic acid
Also Known As: 2-(3-Trifluoromethylphenyl)benzoic acid, 2-[3-(trifluoromethyl)phenyl]benzoic Acid, 3'-(Trifluoromethyl)-[1,1'-biphenyl]-2-carboxylic acid, RARECHEM AL BE 1365, 3'-Trifluoromethylbiphenyl-2-carboxylic acid
| Molecular Formula | C14H9F3O2 |
|---|---|
| Molecular Weight | 266.06 g/mol |
| LogP | 4.0706 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 266.05545 |
| Heavy Atoms | 19 |
| Complexity | 618.0833 |
Chemical Identifiers
| CAS Number | 408367-99-7 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C2=CC(=CC=C2)C(F)(F)F)C(=O)O |
Product Overview
2-(3-Trifluoromethylphenyl)benzoic acid (CAS 408367-99-7), with molecular formula C14H9F3O2 and molecular weight 266.06 g/mol. IUPAC: 2-[3-(trifluoromethyl)phenyl]benzoic acid.
Chemical Property Profile of 2-(3-Trifluoromethylphenyl)benzoic acid
Property Insights of 2-(3-Trifluoromethylphenyl)benzoic acid
The XLogP value of 4.0706 indicates that 2-(3-Trifluoromethylphenyl)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 2-(3-Trifluoromethylphenyl)benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3-Trifluoromethylphenyl)benzoic acid has 1 hydrogen bond donor(s) and 1 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 2-(3-Trifluoromethylphenyl)benzoic acid?
The CAS number of 2-(3-Trifluoromethylphenyl)benzoic acid is 408367-99-7.
What is the molecular formula of 2-(3-Trifluoromethylphenyl)benzoic acid?
The molecular formula of 2-(3-Trifluoromethylphenyl)benzoic acid is C14H9F3O2.
What is the molecular weight of 2-(3-Trifluoromethylphenyl)benzoic acid?
The molecular weight of 2-(3-Trifluoromethylphenyl)benzoic acid is 266.06 g/mol.
Where can I buy 2-(3-Trifluoromethylphenyl)benzoic acid?
You can request a quote for 2-(3-Trifluoromethylphenyl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-Trifluoromethylphenyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Trifluoromethylphenyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.