![Ethyl 2-cyano-3-[2-(trifluoromethyl)phenyl]prop-2-enoate structure](/static/products/1495/149550-22-1.webp)
Ethyl 2-cyano-3-[2-(trifluoromethyl)phenyl]prop-2-enoate
TL;DR: Ethyl 2-cyano-3-[2-(trifluoromethyl)phenyl]prop-2-enoate (CAS 149550-22-1) is a chemical compound with molecular formula C13H10F3NO2 and molecular weight 269.06638 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-cyano-3-[2-(trifluoromethyl)phenyl]prop-2-enoate
Also Known As: ethyl 2-cyano-3-[2-(trifluoromethyl)phenyl]prop-2-enoate, Ethyl 2-cyano-3-[2-(trifluoromethyl)phenyl]-2-propenoate
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H10F3NO2 |
| Molecular Weight | 269.06638 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 269.06638 Da |
| Heavy Atoms | 19 |
| Complexity | 406.0 |
| SMILES | CCOC(=O)C(=CC1=CC=CC=C1C(F)(F)F)C#N |
| InChIKey | RPUDGDMCLJLXAH-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 2-cyano-3-[2-(trifluoromethyl)phenyl]prop-2-enoate
Property Insights of Ethyl 2-cyano-3-[2-(trifluoromethyl)phenyl]prop-2-enoate
The XLogP value of 3.3 indicates that Ethyl 2-cyano-3-[2-(trifluoromethyl)phenyl]prop-2-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.1 Ų, Ethyl 2-cyano-3-[2-(trifluoromethyl)phenyl]prop-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-cyano-3-[2-(trifluoromethyl)phenyl]prop-2-enoate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Ethyl 2-cyano-3-[2-(trifluoromethyl)phenyl]prop-2-enoate?
The CAS number of Ethyl 2-cyano-3-[2-(trifluoromethyl)phenyl]prop-2-enoate is 149550-22-1.
What is the molecular formula of Ethyl 2-cyano-3-[2-(trifluoromethyl)phenyl]prop-2-enoate?
The molecular formula of Ethyl 2-cyano-3-[2-(trifluoromethyl)phenyl]prop-2-enoate is C13H10F3NO2.
What is the molecular weight of Ethyl 2-cyano-3-[2-(trifluoromethyl)phenyl]prop-2-enoate?
The molecular weight of Ethyl 2-cyano-3-[2-(trifluoromethyl)phenyl]prop-2-enoate is 269.06638 g/mol.
Where can I buy Ethyl 2-cyano-3-[2-(trifluoromethyl)phenyl]prop-2-enoate?
You can request a quote for Ethyl 2-cyano-3-[2-(trifluoromethyl)phenyl]prop-2-enoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 2-cyano-3-[2-(trifluoromethyl)phenyl]prop-2-enoate?
Yes, CoreyChem provides custom synthesis services for Ethyl 2-cyano-3-[2-(trifluoromethyl)phenyl]prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.