4'-Trifluoromethoxy-biphenyl-3-carboxylic acid
TL;DR: 4'-Trifluoromethoxy-biphenyl-3-carboxylic acid (CAS 56116-62-2) 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.
3-[4-(trifluoromethoxy)phenyl]benzoic acid
Also Known As: 4'-Trifluoromethoxy-biphenyl-3-carboxylic acid, 4'-(Trifluoromethoxy)biphenyl-3-carboxylic acid, 3-[4-(trifluoromethoxy)phenyl]benzoic Acid, AMTDA077, 4'-trifluoromethoxybiphenyl-3-carboxylic acid
| Molecular Formula | C14H9F3O3 |
|---|---|
| Molecular Weight | 282.05 g/mol |
| LogP | 3.9504 |
| 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 | 618.3064 |
Chemical Identifiers
| CAS Number | 56116-62-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(=O)O)C2=CC=C(C=C2)OC(F)(F)F |
Product Overview
4'-Trifluoromethoxy-biphenyl-3-carboxylic acid (CAS 56116-62-2), with molecular formula C14H9F3O3 and molecular weight 282.05 g/mol. IUPAC: 3-[4-(trifluoromethoxy)phenyl]benzoic acid.
Chemical Property Profile of 4'-Trifluoromethoxy-biphenyl-3-carboxylic acid
Property Insights of 4'-Trifluoromethoxy-biphenyl-3-carboxylic acid
The XLogP value of 3.9504 indicates that 4'-Trifluoromethoxy-biphenyl-3-carboxylic 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'-Trifluoromethoxy-biphenyl-3-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4'-Trifluoromethoxy-biphenyl-3-carboxylic 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'-Trifluoromethoxy-biphenyl-3-carboxylic acid?
The CAS number of 4'-Trifluoromethoxy-biphenyl-3-carboxylic acid is 56116-62-2.
What is the molecular formula of 4'-Trifluoromethoxy-biphenyl-3-carboxylic acid?
The molecular formula of 4'-Trifluoromethoxy-biphenyl-3-carboxylic acid is C14H9F3O3.
What is the molecular weight of 4'-Trifluoromethoxy-biphenyl-3-carboxylic acid?
The molecular weight of 4'-Trifluoromethoxy-biphenyl-3-carboxylic acid is 282.05 g/mol.
Where can I buy 4'-Trifluoromethoxy-biphenyl-3-carboxylic acid?
You can request a quote for 4'-Trifluoromethoxy-biphenyl-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4'-Trifluoromethoxy-biphenyl-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4'-Trifluoromethoxy-biphenyl-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.