Methyl 4'-(trifluoromethyl)(1,1'-biphenyl)-3-carboxylate
TL;DR: Methyl 4'-(trifluoromethyl)(1,1'-biphenyl)-3-carboxylate (CAS 773875-92-6) is a chemical compound with molecular formula C15H11F3O2 and molecular weight 280.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[4-(trifluoromethyl)phenyl]benzoate
Also Known As: Methyl 4'-(trifluoromethyl)-[1,1'-biphenyl]-3-carboxylate, Methyl 3-[4-(trifluoromethyl)phenyl]benzoate, methyl 4'-(trifluoromethyl)[1,1'-biphenyl]-3-carboxylate, methyl 3-(4-trifluoromethylphenyl)benzoate, Methyl4'-(trifluoromethyl)-[1,1'-biphenyl]-3-carboxylate
| Molecular Formula | C15H11F3O2 |
|---|---|
| Molecular Weight | 280.07 g/mol |
| LogP | 4.159 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 280.0711 |
| Heavy Atoms | 20 |
| Complexity | 615.7609 |
Chemical Identifiers
| CAS Number | 773875-92-6 |
|---|---|
| SMILES | COC(=O)C1=CC=CC(=C1)C2=CC=C(C=C2)C(F)(F)F |
Product Overview
Methyl 4'-(trifluoromethyl)(1,1'-biphenyl)-3-carboxylate (CAS 773875-92-6), with molecular formula C15H11F3O2 and molecular weight 280.07 g/mol. IUPAC: methyl 3-[4-(trifluoromethyl)phenyl]benzoate.
Chemical Property Profile of Methyl 4'-(trifluoromethyl)(1,1'-biphenyl)-3-carboxylate
Property Insights of Methyl 4'-(trifluoromethyl)(1,1'-biphenyl)-3-carboxylate
The XLogP value of 4.159 indicates that Methyl 4'-(trifluoromethyl)(1,1'-biphenyl)-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 4'-(trifluoromethyl)(1,1'-biphenyl)-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4'-(trifluoromethyl)(1,1'-biphenyl)-3-carboxylate has 0 hydrogen bond donor(s) and 2 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 Methyl 4'-(trifluoromethyl)(1,1'-biphenyl)-3-carboxylate?
The CAS number of Methyl 4'-(trifluoromethyl)(1,1'-biphenyl)-3-carboxylate is 773875-92-6.
What is the molecular formula of Methyl 4'-(trifluoromethyl)(1,1'-biphenyl)-3-carboxylate?
The molecular formula of Methyl 4'-(trifluoromethyl)(1,1'-biphenyl)-3-carboxylate is C15H11F3O2.
What is the molecular weight of Methyl 4'-(trifluoromethyl)(1,1'-biphenyl)-3-carboxylate?
The molecular weight of Methyl 4'-(trifluoromethyl)(1,1'-biphenyl)-3-carboxylate is 280.07 g/mol.
Where can I buy Methyl 4'-(trifluoromethyl)(1,1'-biphenyl)-3-carboxylate?
You can request a quote for Methyl 4'-(trifluoromethyl)(1,1'-biphenyl)-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4'-(trifluoromethyl)(1,1'-biphenyl)-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4'-(trifluoromethyl)(1,1'-biphenyl)-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.