Ethyl 2-cyano-3-(4-fluorophenyl)but-2-enoate
TL;DR: Ethyl 2-cyano-3-(4-fluorophenyl)but-2-enoate (CAS 15297-64-0) is a chemical compound with molecular formula C13H12FNO2 and molecular weight 233.0852 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl (E)-2-cyano-3-(4-fluorophenyl)but-2-enoate
Also Known As: ethyl 2-cyano-3-(4-fluorophenyl)but-2-enoate, ethyl (E)-2-cyano-3-(4-fluorophenyl)but-2-enoate, 2-Butenoic acid, 2-cyano-3-(4-fluorophenyl)-, ethyl ester, ethyl2-cyano-3-(4-fluorophenyl)but-2-enoate, G42129
Technical Specifications
| Molecular Formula | C13H12FNO2 |
| Molecular Weight | 233.0852 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 233.0852 Da |
| Heavy Atoms | 17 |
| Complexity | 359.0 |
| SMILES | CCOC(=O)/C(=C(\C)/C1=CC=C(C=C1)F)/C#N |
| InChIKey | YEFJIISUCYHBLT-FMIVXFBMSA-N |
Chemical Property Profile of Ethyl 2-cyano-3-(4-fluorophenyl)but-2-enoate
Property Insights of Ethyl 2-cyano-3-(4-fluorophenyl)but-2-enoate
The XLogP value of 3.2 indicates that Ethyl 2-cyano-3-(4-fluorophenyl)but-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-(4-fluorophenyl)but-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-cyano-3-(4-fluorophenyl)but-2-enoate has 0 hydrogen bond donor(s) and 4 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-(4-fluorophenyl)but-2-enoate?
The CAS number of Ethyl 2-cyano-3-(4-fluorophenyl)but-2-enoate is 15297-64-0.
What is the molecular formula of Ethyl 2-cyano-3-(4-fluorophenyl)but-2-enoate?
The molecular formula of Ethyl 2-cyano-3-(4-fluorophenyl)but-2-enoate is C13H12FNO2.
What is the molecular weight of Ethyl 2-cyano-3-(4-fluorophenyl)but-2-enoate?
The molecular weight of Ethyl 2-cyano-3-(4-fluorophenyl)but-2-enoate is 233.0852 g/mol.
Where can I buy Ethyl 2-cyano-3-(4-fluorophenyl)but-2-enoate?
You can request a quote for Ethyl 2-cyano-3-(4-fluorophenyl)but-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-(4-fluorophenyl)but-2-enoate?
Yes, CoreyChem provides custom synthesis services for Ethyl 2-cyano-3-(4-fluorophenyl)but-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.