4-Fluorophenyl 3-(trifluoromethyl)benzoate
TL;DR: 4-Fluorophenyl 3-(trifluoromethyl)benzoate (CAS 218929-27-2) is a chemical compound with molecular formula C14H8F4O2 and molecular weight 284.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-fluorophenyl) 3-(trifluoromethyl)benzoate
Also Known As: 4-fluorophenyl 3-(trifluoromethyl)benzoate, 2-Amino-3-methylphenol, (4-fluorophenyl) 3-(trifluoromethyl)benzoate, s10445, 4-Fluorophenyl3-(trifluoromethyl)benzoate
| Molecular Formula | C14H8F4O2 |
|---|---|
| Molecular Weight | 284.05 g/mol |
| LogP | 4.0637 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 284.04605 |
| Heavy Atoms | 20 |
| Complexity | 617.81616 |
Chemical Identifiers
| CAS Number | 218929-27-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(F)(F)F)C(=O)OC2=CC=C(C=C2)F |
Product Overview
4-Fluorophenyl 3-(trifluoromethyl)benzoate (CAS 218929-27-2), with molecular formula C14H8F4O2 and molecular weight 284.05 g/mol. IUPAC: (4-fluorophenyl) 3-(trifluoromethyl)benzoate.
Chemical Property Profile of 4-Fluorophenyl 3-(trifluoromethyl)benzoate
Property Insights of 4-Fluorophenyl 3-(trifluoromethyl)benzoate
The XLogP value of 4.0637 indicates that 4-Fluorophenyl 3-(trifluoromethyl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 4-Fluorophenyl 3-(trifluoromethyl)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Fluorophenyl 3-(trifluoromethyl)benzoate 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 4-Fluorophenyl 3-(trifluoromethyl)benzoate?
The CAS number of 4-Fluorophenyl 3-(trifluoromethyl)benzoate is 218929-27-2.
What is the molecular formula of 4-Fluorophenyl 3-(trifluoromethyl)benzoate?
The molecular formula of 4-Fluorophenyl 3-(trifluoromethyl)benzoate is C14H8F4O2.
What is the molecular weight of 4-Fluorophenyl 3-(trifluoromethyl)benzoate?
The molecular weight of 4-Fluorophenyl 3-(trifluoromethyl)benzoate is 284.05 g/mol.
Where can I buy 4-Fluorophenyl 3-(trifluoromethyl)benzoate?
You can request a quote for 4-Fluorophenyl 3-(trifluoromethyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Fluorophenyl 3-(trifluoromethyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-Fluorophenyl 3-(trifluoromethyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.