ethyl (E)-2-cyanopent-2-enoate
TL;DR: ethyl (E)-2-cyanopent-2-enoate (CAS 144918-37-6) is a chemical compound with molecular formula C8H11NO2 and molecular weight 153.07898 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl (E)-2-cyanopent-2-enoate
Also Known As: Ethyl 2-cyanopent-2-enoate, ethyl (E)-2-cyanopent-2-enoate, ethyl (2E)-2-cyanopent-2-enoate, (E)-2-Cyano-pent-2-enoic acid ethyl ester, 2-cyano-pent-2-enoic acid ethyl ester
Technical Specifications
| Molecular Formula | C8H11NO2 |
| Molecular Weight | 153.07898 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 153.07898 Da |
| Heavy Atoms | 11 |
| Complexity | 209.0 |
| SMILES | CC/C=C(\C#N)/C(=O)OCC |
| InChIKey | HECULCWTVRHVGP-FNORWQNLSA-N |
Chemical Property Profile of ethyl (E)-2-cyanopent-2-enoate
Property Insights of ethyl (E)-2-cyanopent-2-enoate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl (E)-2-cyanopent-2-enoate. With a topological polar surface area (TPSA) of 50.1 Ų, ethyl (E)-2-cyanopent-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl (E)-2-cyanopent-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 (E)-2-cyanopent-2-enoate?
The CAS number of ethyl (E)-2-cyanopent-2-enoate is 144918-37-6.
What is the molecular formula of ethyl (E)-2-cyanopent-2-enoate?
The molecular formula of ethyl (E)-2-cyanopent-2-enoate is C8H11NO2.
What is the molecular weight of ethyl (E)-2-cyanopent-2-enoate?
The molecular weight of ethyl (E)-2-cyanopent-2-enoate is 153.07898 g/mol.
Where can I buy ethyl (E)-2-cyanopent-2-enoate?
You can request a quote for ethyl (E)-2-cyanopent-2-enoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ethyl (E)-2-cyanopent-2-enoate?
Yes, CoreyChem provides custom synthesis services for ethyl (E)-2-cyanopent-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.