![methyl (E)-2-cyano-3-[4-(trifluoromethyl)phenyl]prop-2-enoate structure](/static/products/164/1643653-99-9.webp)
methyl (E)-2-cyano-3-[4-(trifluoromethyl)phenyl]prop-2-enoate
TL;DR: methyl (E)-2-cyano-3-[4-(trifluoromethyl)phenyl]prop-2-enoate (CAS 1643653-99-9) is a chemical compound with molecular formula C12H8F3NO2 and molecular weight 255.05072 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (E)-2-cyano-3-[4-(trifluoromethyl)phenyl]prop-2-enoate
Also Known As: (E)-methyl 2-cyano-3-(4-(trifluoromethyl)phenyl)acrylate, Methyl 2-cyano-3-[4-(trifluoromethyl)phenyl]prop-2-enoate, methyl (E)-2-cyano-3-[4-(trifluoromethyl)phenyl]prop-2-enoate
Technical Specifications
| Molecular Formula | C12H8F3NO2 |
| Molecular Weight | 255.05072 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 255.05072 Da |
| Heavy Atoms | 18 |
| Complexity | 384.0 |
| SMILES | COC(=O)/C(=C/C1=CC=C(C=C1)C(F)(F)F)/C#N |
| InChIKey | MVKZVXFLNYUOFK-RMKNXTFCSA-N |
Chemical Property Profile of methyl (E)-2-cyano-3-[4-(trifluoromethyl)phenyl]prop-2-enoate
Property Insights of methyl (E)-2-cyano-3-[4-(trifluoromethyl)phenyl]prop-2-enoate
The XLogP value of 3.0 indicates that methyl (E)-2-cyano-3-[4-(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, methyl (E)-2-cyano-3-[4-(trifluoromethyl)phenyl]prop-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl (E)-2-cyano-3-[4-(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 methyl (E)-2-cyano-3-[4-(trifluoromethyl)phenyl]prop-2-enoate?
The CAS number of methyl (E)-2-cyano-3-[4-(trifluoromethyl)phenyl]prop-2-enoate is 1643653-99-9.
What is the molecular formula of methyl (E)-2-cyano-3-[4-(trifluoromethyl)phenyl]prop-2-enoate?
The molecular formula of methyl (E)-2-cyano-3-[4-(trifluoromethyl)phenyl]prop-2-enoate is C12H8F3NO2.
What is the molecular weight of methyl (E)-2-cyano-3-[4-(trifluoromethyl)phenyl]prop-2-enoate?
The molecular weight of methyl (E)-2-cyano-3-[4-(trifluoromethyl)phenyl]prop-2-enoate is 255.05072 g/mol.
Where can I buy methyl (E)-2-cyano-3-[4-(trifluoromethyl)phenyl]prop-2-enoate?
You can request a quote for methyl (E)-2-cyano-3-[4-(trifluoromethyl)phenyl]prop-2-enoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for methyl (E)-2-cyano-3-[4-(trifluoromethyl)phenyl]prop-2-enoate?
Yes, CoreyChem provides custom synthesis services for methyl (E)-2-cyano-3-[4-(trifluoromethyl)phenyl]prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.