![3-[4-(Trifluoromethyl)phenyl]benzoate structure](/static/products/199/199528-28-4.png)
3-[4-(Trifluoromethyl)phenyl]benzoate
TL;DR: 3-[4-(Trifluoromethyl)phenyl]benzoate (CAS 199528-28-4) is a chemical compound with molecular formula C14H8F3O2- and molecular weight 265.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(trifluoromethyl)phenyl]benzoate
Also Known As: 3-[4-(trifluoromethyl)phenyl]benzoate, 4'-(Trifluoromethyl)biphenyl-3-carboxylic acid
| Molecular Formula | C14H8F3O2- |
|---|---|
| Molecular Weight | 265.05 g/mol |
| LogP | 2.7359 |
| Topological Polar Surface Area | 40.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 265.04764 |
| Heavy Atoms | 19 |
| Complexity | 600.8333 |
Chemical Identifiers
| CAS Number | 199528-28-4 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(=O)[O-])C2=CC=C(C=C2)C(F)(F)F |
Product Overview
3-[4-(Trifluoromethyl)phenyl]benzoate (CAS 199528-28-4), with molecular formula C14H8F3O2- and molecular weight 265.05 g/mol. IUPAC: 3-[4-(trifluoromethyl)phenyl]benzoate.
Chemical Property Profile of 3-[4-(Trifluoromethyl)phenyl]benzoate
Property Insights of 3-[4-(Trifluoromethyl)phenyl]benzoate
The XLogP value of 2.7359 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[4-(Trifluoromethyl)phenyl]benzoate. With a topological polar surface area (TPSA) of 40.13 Ų, 3-[4-(Trifluoromethyl)phenyl]benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[4-(Trifluoromethyl)phenyl]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 3-[4-(Trifluoromethyl)phenyl]benzoate?
The CAS number of 3-[4-(Trifluoromethyl)phenyl]benzoate is 199528-28-4.
What is the molecular formula of 3-[4-(Trifluoromethyl)phenyl]benzoate?
The molecular formula of 3-[4-(Trifluoromethyl)phenyl]benzoate is C14H8F3O2-.
What is the molecular weight of 3-[4-(Trifluoromethyl)phenyl]benzoate?
The molecular weight of 3-[4-(Trifluoromethyl)phenyl]benzoate is 265.05 g/mol.
Where can I buy 3-[4-(Trifluoromethyl)phenyl]benzoate?
You can request a quote for 3-[4-(Trifluoromethyl)phenyl]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[4-(Trifluoromethyl)phenyl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for 3-[4-(Trifluoromethyl)phenyl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.