ethyl (2E)-2-cyano-3-(2,5-dimethylphenyl)prop-2-enoate
TL;DR: ethyl (2E)-2-cyano-3-(2,5-dimethylphenyl)prop-2-enoate (CAS 1417190-79-4) is a chemical compound with molecular formula C14H15NO2 and molecular weight 229.11028 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl (E)-2-cyano-3-(2,5-dimethylphenyl)prop-2-enoate
Also Known As: J3.152.734A, Ethyl 2-cyano-3-(2,5-dimethylphenyl)prop-2-enoate, 2-Cyano-3-(2,5-dimethylphenyl)propenoic acid ethyl ester, ethyl (E)-2-cyano-3-(2,5-dimethylphenyl)prop-2-enoate, ethyl (2E)-2-cyano-3-(2,5-dimethylphenyl)prop-2-enoate
Technical Specifications
| Molecular Formula | C14H15NO2 |
| Molecular Weight | 229.11028 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 229.11028 Da |
| Heavy Atoms | 17 |
| Complexity | 350.0 |
| SMILES | CCOC(=O)/C(=C/C1=C(C=CC(=C1)C)C)/C#N |
| InChIKey | XXCZSUHSGLNTQD-MDWZMJQESA-N |
Chemical Property Profile of ethyl (2E)-2-cyano-3-(2,5-dimethylphenyl)prop-2-enoate
Property Insights of ethyl (2E)-2-cyano-3-(2,5-dimethylphenyl)prop-2-enoate
The XLogP value of 3.2 indicates that ethyl (2E)-2-cyano-3-(2,5-dimethylphenyl)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 (2E)-2-cyano-3-(2,5-dimethylphenyl)prop-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl (2E)-2-cyano-3-(2,5-dimethylphenyl)prop-2-enoate has 0 hydrogen bond donor(s) and 3 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 (2E)-2-cyano-3-(2,5-dimethylphenyl)prop-2-enoate?
The CAS number of ethyl (2E)-2-cyano-3-(2,5-dimethylphenyl)prop-2-enoate is 1417190-79-4.
What is the molecular formula of ethyl (2E)-2-cyano-3-(2,5-dimethylphenyl)prop-2-enoate?
The molecular formula of ethyl (2E)-2-cyano-3-(2,5-dimethylphenyl)prop-2-enoate is C14H15NO2.
What is the molecular weight of ethyl (2E)-2-cyano-3-(2,5-dimethylphenyl)prop-2-enoate?
The molecular weight of ethyl (2E)-2-cyano-3-(2,5-dimethylphenyl)prop-2-enoate is 229.11028 g/mol.
Where can I buy ethyl (2E)-2-cyano-3-(2,5-dimethylphenyl)prop-2-enoate?
You can request a quote for ethyl (2E)-2-cyano-3-(2,5-dimethylphenyl)prop-2-enoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ethyl (2E)-2-cyano-3-(2,5-dimethylphenyl)prop-2-enoate?
Yes, CoreyChem provides custom synthesis services for ethyl (2E)-2-cyano-3-(2,5-dimethylphenyl)prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.