3,5-Bis(trifluoromethyl)hydrocinnamic acid
TL;DR: 3,5-Bis(trifluoromethyl)hydrocinnamic acid (CAS 181772-16-7) is a chemical compound with molecular formula C11H8F6O2 and molecular weight 286.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[3,5-bis(trifluoromethyl)phenyl]propanoic acid
Also Known As: 3,5-Bis(trifluoromethyl)hydrocinnamic acid, fludiazepam, 3-[3,5-bis(trifluoromethyl)phenyl]propanoic Acid, 3-(3,5-bis(trifluoromethyl)phenyl)propanoic acid, Benzenepropanoic acid, 3,5-bis(trifluoromethyl)-
| Molecular Formula | C11H8F6O2 |
|---|---|
| Molecular Weight | 286.04 g/mol |
| LogP | 3.7414 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 286.04285 |
| Heavy Atoms | 19 |
| Complexity | 442.80426 |
Chemical Identifiers
| CAS Number | 181772-16-7 |
|---|---|
| SMILES | C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)CCC(=O)O |
Product Overview
3,5-Bis(trifluoromethyl)hydrocinnamic acid (CAS 181772-16-7), with molecular formula C11H8F6O2 and molecular weight 286.04 g/mol. IUPAC: 3-[3,5-bis(trifluoromethyl)phenyl]propanoic acid.
Chemical Property Profile of 3,5-Bis(trifluoromethyl)hydrocinnamic acid
Property Insights of 3,5-Bis(trifluoromethyl)hydrocinnamic acid
The XLogP value of 3.7414 indicates that 3,5-Bis(trifluoromethyl)hydrocinnamic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 3,5-Bis(trifluoromethyl)hydrocinnamic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Bis(trifluoromethyl)hydrocinnamic acid has 1 hydrogen bond donor(s) and 1 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 3,5-Bis(trifluoromethyl)hydrocinnamic acid?
The CAS number of 3,5-Bis(trifluoromethyl)hydrocinnamic acid is 181772-16-7.
What is the molecular formula of 3,5-Bis(trifluoromethyl)hydrocinnamic acid?
The molecular formula of 3,5-Bis(trifluoromethyl)hydrocinnamic acid is C11H8F6O2.
What is the molecular weight of 3,5-Bis(trifluoromethyl)hydrocinnamic acid?
The molecular weight of 3,5-Bis(trifluoromethyl)hydrocinnamic acid is 286.04 g/mol.
Where can I buy 3,5-Bis(trifluoromethyl)hydrocinnamic acid?
You can request a quote for 3,5-Bis(trifluoromethyl)hydrocinnamic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Bis(trifluoromethyl)hydrocinnamic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Bis(trifluoromethyl)hydrocinnamic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.