4-(4-(Trifluoromethyl)phenoxy)benzoic acid
TL;DR: 4-(4-(Trifluoromethyl)phenoxy)benzoic acid (CAS 78161-82-7) is a chemical compound with molecular formula C14H9F3O3 and molecular weight 282.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-(trifluoromethyl)phenoxy]benzoic acid
Also Known As: 4-(4-(Trifluoromethyl)phenoxy)benzoic acid, 4-[4-(trifluoromethyl)phenoxy]benzoic Acid, 4PBD-Q07-0, 2244AC, 4-(4-(Trifluoromethyl)phenoxy)benzoicacid
| Molecular Formula | C14H9F3O3 |
|---|---|
| Molecular Weight | 282.05 g/mol |
| LogP | 4.1959 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 282.05038 |
| Heavy Atoms | 20 |
| Complexity | 601.0564 |
Chemical Identifiers
| CAS Number | 78161-82-7 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)O)OC2=CC=C(C=C2)C(F)(F)F |
Product Overview
4-(4-(Trifluoromethyl)phenoxy)benzoic acid (CAS 78161-82-7), with molecular formula C14H9F3O3 and molecular weight 282.05 g/mol. IUPAC: 4-[4-(trifluoromethyl)phenoxy]benzoic acid.
Chemical Property Profile of 4-(4-(Trifluoromethyl)phenoxy)benzoic acid
Property Insights of 4-(4-(Trifluoromethyl)phenoxy)benzoic acid
The XLogP value of 4.1959 indicates that 4-(4-(Trifluoromethyl)phenoxy)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.53 Ų, 4-(4-(Trifluoromethyl)phenoxy)benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-(Trifluoromethyl)phenoxy)benzoic acid has 1 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-(4-(Trifluoromethyl)phenoxy)benzoic acid?
The CAS number of 4-(4-(Trifluoromethyl)phenoxy)benzoic acid is 78161-82-7.
What is the molecular formula of 4-(4-(Trifluoromethyl)phenoxy)benzoic acid?
The molecular formula of 4-(4-(Trifluoromethyl)phenoxy)benzoic acid is C14H9F3O3.
What is the molecular weight of 4-(4-(Trifluoromethyl)phenoxy)benzoic acid?
The molecular weight of 4-(4-(Trifluoromethyl)phenoxy)benzoic acid is 282.05 g/mol.
Where can I buy 4-(4-(Trifluoromethyl)phenoxy)benzoic acid?
You can request a quote for 4-(4-(Trifluoromethyl)phenoxy)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-(Trifluoromethyl)phenoxy)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-(Trifluoromethyl)phenoxy)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.