![Ethyl 2-cyano-3-{5-[3-(trifluoromethyl)phenyl]furan-2-yl}prop-2-enoate structure](/static/products/3016/301687-84-3.webp)
Ethyl 2-cyano-3-{5-[3-(trifluoromethyl)phenyl]furan-2-yl}prop-2-enoate
TL;DR: Ethyl 2-cyano-3-{5-[3-(trifluoromethyl)phenyl]furan-2-yl}prop-2-enoate (CAS 301687-84-3) is a chemical compound with molecular formula C17H12F3NO3 and molecular weight 335.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-cyano-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enoate
Also Known As: BAS 00844636, Ethyl 2-cyano-3-[5-[3-(trifluoromethyl)phenyl]-2-furanyl]-2-propenoate, ethyl 2-cyano-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enoate, ethyl 2-cyano-3-{5-[3-(trifluoromethyl)phenyl]furan-2-yl}prop-2-enoate
| Molecular Formula | C17H12F3NO3 |
|---|---|
| Molecular Weight | 335.08 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 63.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 335.07693 |
| Heavy Atoms | 24 |
| Complexity | 535.0 |
Chemical Identifiers
| CAS Number | 301687-84-3 |
|---|---|
| SMILES | CCOC(=O)C(=CC1=CC=C(O1)C2=CC(=CC=C2)C(F)(F)F)C#N |
| InChIKey | JXAGEERCTVZLGJ-UHFFFAOYSA-N |
Product Overview
Ethyl 2-cyano-3-{5-[3-(trifluoromethyl)phenyl]furan-2-yl}prop-2-enoate (CAS 301687-84-3), with molecular formula C17H12F3NO3 and molecular weight 335.08 g/mol. IUPAC: ethyl 2-cyano-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enoate.
Chemical Property Profile of Ethyl 2-cyano-3-{5-[3-(trifluoromethyl)phenyl]furan-2-yl}prop-2-enoate
Property Insights of Ethyl 2-cyano-3-{5-[3-(trifluoromethyl)phenyl]furan-2-yl}prop-2-enoate
The XLogP value of 4.1 indicates that Ethyl 2-cyano-3-{5-[3-(trifluoromethyl)phenyl]furan-2-yl}prop-2-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-cyano-3-{5-[3-(trifluoromethyl)phenyl]furan-2-yl}prop-2-enoate. Following Lipinski's Rule of Five, Ethyl 2-cyano-3-{5-[3-(trifluoromethyl)phenyl]furan-2-yl}prop-2-enoate has 0 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-{5-[3-(trifluoromethyl)phenyl]furan-2-yl}prop-2-enoate?
The CAS number of Ethyl 2-cyano-3-{5-[3-(trifluoromethyl)phenyl]furan-2-yl}prop-2-enoate is 301687-84-3.
What is the molecular formula of Ethyl 2-cyano-3-{5-[3-(trifluoromethyl)phenyl]furan-2-yl}prop-2-enoate?
The molecular formula of Ethyl 2-cyano-3-{5-[3-(trifluoromethyl)phenyl]furan-2-yl}prop-2-enoate is C17H12F3NO3.
What is the molecular weight of Ethyl 2-cyano-3-{5-[3-(trifluoromethyl)phenyl]furan-2-yl}prop-2-enoate?
The molecular weight of Ethyl 2-cyano-3-{5-[3-(trifluoromethyl)phenyl]furan-2-yl}prop-2-enoate is 335.08 g/mol.
Where can I buy Ethyl 2-cyano-3-{5-[3-(trifluoromethyl)phenyl]furan-2-yl}prop-2-enoate?
You can request a quote for Ethyl 2-cyano-3-{5-[3-(trifluoromethyl)phenyl]furan-2-yl}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-{5-[3-(trifluoromethyl)phenyl]furan-2-yl}prop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-cyano-3-{5-[3-(trifluoromethyl)phenyl]furan-2-yl}prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.