2-(4-Fluorophenyl)-2-oxoethyl 4'-(trifluoromethyl)biphenyl-2-carboxylate
TL;DR: 2-(4-Fluorophenyl)-2-oxoethyl 4'-(trifluoromethyl)biphenyl-2-carboxylate (CAS 586980-54-3) is a chemical compound with molecular formula C22H14F4O3 and molecular weight 402.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-fluorophenyl)-2-oxoethyl] 2-[4-(trifluoromethyl)phenyl]benzoate
Also Known As: 2-(4-fluorophenyl)-2-oxoethyl 4'-(trifluoromethyl)biphenyl-2-carboxylate, [2-(4-fluorophenyl)-2-oxoethyl] 2-[4-(trifluoromethyl)phenyl]benzoate
| Molecular Formula | C22H14F4O3 |
|---|---|
| Molecular Weight | 402.09 g/mol |
| LogP | 5.5512 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 402.08792 |
| Heavy Atoms | 29 |
| Complexity | 1023.1731 |
Chemical Identifiers
| CAS Number | 586980-54-3 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C2=CC=C(C=C2)C(F)(F)F)C(=O)OCC(=O)C3=CC=C(C=C3)F |
Product Overview
2-(4-Fluorophenyl)-2-oxoethyl 4'-(trifluoromethyl)biphenyl-2-carboxylate (CAS 586980-54-3), with molecular formula C22H14F4O3 and molecular weight 402.09 g/mol. IUPAC: [2-(4-fluorophenyl)-2-oxoethyl] 2-[4-(trifluoromethyl)phenyl]benzoate.
Chemical Property Profile of 2-(4-Fluorophenyl)-2-oxoethyl 4'-(trifluoromethyl)biphenyl-2-carboxylate
Property Insights of 2-(4-Fluorophenyl)-2-oxoethyl 4'-(trifluoromethyl)biphenyl-2-carboxylate
The XLogP value of 5.5512 indicates that 2-(4-Fluorophenyl)-2-oxoethyl 4'-(trifluoromethyl)biphenyl-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.37 Ų, 2-(4-Fluorophenyl)-2-oxoethyl 4'-(trifluoromethyl)biphenyl-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Fluorophenyl)-2-oxoethyl 4'-(trifluoromethyl)biphenyl-2-carboxylate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(4-Fluorophenyl)-2-oxoethyl 4'-(trifluoromethyl)biphenyl-2-carboxylate?
The CAS number of 2-(4-Fluorophenyl)-2-oxoethyl 4'-(trifluoromethyl)biphenyl-2-carboxylate is 586980-54-3.
What is the molecular formula of 2-(4-Fluorophenyl)-2-oxoethyl 4'-(trifluoromethyl)biphenyl-2-carboxylate?
The molecular formula of 2-(4-Fluorophenyl)-2-oxoethyl 4'-(trifluoromethyl)biphenyl-2-carboxylate is C22H14F4O3.
What is the molecular weight of 2-(4-Fluorophenyl)-2-oxoethyl 4'-(trifluoromethyl)biphenyl-2-carboxylate?
The molecular weight of 2-(4-Fluorophenyl)-2-oxoethyl 4'-(trifluoromethyl)biphenyl-2-carboxylate is 402.09 g/mol.
Where can I buy 2-(4-Fluorophenyl)-2-oxoethyl 4'-(trifluoromethyl)biphenyl-2-carboxylate?
You can request a quote for 2-(4-Fluorophenyl)-2-oxoethyl 4'-(trifluoromethyl)biphenyl-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Fluorophenyl)-2-oxoethyl 4'-(trifluoromethyl)biphenyl-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Fluorophenyl)-2-oxoethyl 4'-(trifluoromethyl)biphenyl-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.