![Ethyl 2-cyano-3-[3-(trifluoromethyl)anilino]prop-2-enoate structure](/static/products/3497/349-73-5.webp)
Ethyl 2-cyano-3-[3-(trifluoromethyl)anilino]prop-2-enoate
TL;DR: Ethyl 2-cyano-3-[3-(trifluoromethyl)anilino]prop-2-enoate (CAS 349-73-5) is a chemical compound with molecular formula C13H11F3N2O2 and molecular weight 284.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-cyano-3-[3-(trifluoromethyl)anilino]prop-2-enoate
Also Known As: ethyl 2-cyano-3-[3-(trifluoromethyl)anilino]prop-2-enoate, ethyl 2-nitrilo-3-((3-(trifluoromethyl)phenyl)amino)prop-2-enoate, ethyl 2-cyano-3-{[3-(trifluoromethyl)phenyl]amino}prop-2-enoate
| Molecular Formula | C13H11F3N2O2 |
|---|---|
| Molecular Weight | 284.08 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 62.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 284.07727 |
| Heavy Atoms | 20 |
| Complexity | 423.0 |
Chemical Identifiers
| CAS Number | 349-73-5 |
|---|---|
| SMILES | CCOC(=O)C(=CNC1=CC=CC(=C1)C(F)(F)F)C#N |
| InChIKey | FNHPLXBWPGHIAL-UHFFFAOYSA-N |
Product Overview
Ethyl 2-cyano-3-[3-(trifluoromethyl)anilino]prop-2-enoate (CAS 349-73-5), with molecular formula C13H11F3N2O2 and molecular weight 284.08 g/mol. IUPAC: ethyl 2-cyano-3-[3-(trifluoromethyl)anilino]prop-2-enoate.
Chemical Property Profile of Ethyl 2-cyano-3-[3-(trifluoromethyl)anilino]prop-2-enoate
Property Insights of Ethyl 2-cyano-3-[3-(trifluoromethyl)anilino]prop-2-enoate
The XLogP value of 3.6 indicates that Ethyl 2-cyano-3-[3-(trifluoromethyl)anilino]prop-2-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-cyano-3-[3-(trifluoromethyl)anilino]prop-2-enoate. Following Lipinski's Rule of Five, Ethyl 2-cyano-3-[3-(trifluoromethyl)anilino]prop-2-enoate has 1 hydrogen bond donor(s) and 7 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 Ethyl 2-cyano-3-[3-(trifluoromethyl)anilino]prop-2-enoate?
The CAS number of Ethyl 2-cyano-3-[3-(trifluoromethyl)anilino]prop-2-enoate is 349-73-5.
What is the molecular formula of Ethyl 2-cyano-3-[3-(trifluoromethyl)anilino]prop-2-enoate?
The molecular formula of Ethyl 2-cyano-3-[3-(trifluoromethyl)anilino]prop-2-enoate is C13H11F3N2O2.
What is the molecular weight of Ethyl 2-cyano-3-[3-(trifluoromethyl)anilino]prop-2-enoate?
The molecular weight of Ethyl 2-cyano-3-[3-(trifluoromethyl)anilino]prop-2-enoate is 284.08 g/mol.
Where can I buy Ethyl 2-cyano-3-[3-(trifluoromethyl)anilino]prop-2-enoate?
You can request a quote for Ethyl 2-cyano-3-[3-(trifluoromethyl)anilino]prop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-cyano-3-[3-(trifluoromethyl)anilino]prop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-cyano-3-[3-(trifluoromethyl)anilino]prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.