4-(Trifluoromethyl)cinnamic acid
TL;DR: 4-(Trifluoromethyl)cinnamic acid (CAS 16952-91-3) is a chemical compound with molecular formula C10H7F3O2 and molecular weight 216.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoic acid
Also Known As: 4-(Trifluoromethyl)cinnamic acid, trans-4-(Trifluoromethyl)cinnamic acid, p-(Trifluoromethyl)cinnamic acid, gamma-Diasarone, 4-Trifluoromethylcinnamic acid
| Molecular Formula | C10H7F3O2 |
|---|---|
| Molecular Weight | 216.04 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 216.03981 |
| Heavy Atoms | 15 |
| Complexity | 250.0 |
Chemical Identifiers
| CAS Number | 16952-91-3 |
|---|---|
| SMILES | C1=CC(=CC=C1/C=C/C(=O)O)C(F)(F)F |
| InChIKey | ANRMAUMHJREENI-ZZXKWVIFSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(Trifluoromethyl)cinnamic acid (CAS 16952-91-3), with molecular formula C10H7F3O2 and molecular weight 216.04 g/mol. IUPAC: (E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoic acid.
Chemical Property Profile of 4-(Trifluoromethyl)cinnamic acid
Property Insights of 4-(Trifluoromethyl)cinnamic acid
The XLogP value of 3.0 indicates that 4-(Trifluoromethyl)cinnamic 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, 4-(Trifluoromethyl)cinnamic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Trifluoromethyl)cinnamic acid has 1 hydrogen bond donor(s) and 5 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-(Trifluoromethyl)cinnamic acid?
The CAS number of 4-(Trifluoromethyl)cinnamic acid is 16952-91-3.
What is the molecular formula of 4-(Trifluoromethyl)cinnamic acid?
The molecular formula of 4-(Trifluoromethyl)cinnamic acid is C10H7F3O2.
What is the molecular weight of 4-(Trifluoromethyl)cinnamic acid?
The molecular weight of 4-(Trifluoromethyl)cinnamic acid is 216.04 g/mol.
Where can I buy 4-(Trifluoromethyl)cinnamic acid?
You can request a quote for 4-(Trifluoromethyl)cinnamic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Trifluoromethyl)cinnamic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(Trifluoromethyl)cinnamic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.