ethyl (2E)-azepan-2-ylidene(cyano)ethanoate
TL;DR: ethyl (2E)-azepan-2-ylidene(cyano)ethanoate (CAS 103639-93-6) is a chemical compound with molecular formula C11H16N2O2 and molecular weight 208.12119 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl (2E)-2-(azepan-2-ylidene)-2-cyanoacetate
Also Known As: ethyl (2E)-azepan-2-ylidene(cyano)ethanoate, ethyl 2-azepanylidene(cyano)acetate, BAS 01041686, ethyl (2E)-2-(azepan-2-ylidene)-2-cyanoacetate, ETHYL 2-[(2E)-AZEPAN-2-YLIDENE]-2-CYANOACETATE
Technical Specifications
| Molecular Formula | C11H16N2O2 |
| Molecular Weight | 208.12119 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 62.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 208.12119 Da |
| Heavy Atoms | 15 |
| Complexity | 312.0 |
| SMILES | CCOC(=O)/C(=C/1\CCCCCN1)/C#N |
| InChIKey | OIIXRHZKCPKQIV-MDZDMXLPSA-N |
Chemical Property Profile of ethyl (2E)-azepan-2-ylidene(cyano)ethanoate
Property Insights of ethyl (2E)-azepan-2-ylidene(cyano)ethanoate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl (2E)-azepan-2-ylidene(cyano)ethanoate. The TPSA of 62.1 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl (2E)-azepan-2-ylidene(cyano)ethanoate. Following Lipinski's Rule of Five, ethyl (2E)-azepan-2-ylidene(cyano)ethanoate has 1 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 (2E)-azepan-2-ylidene(cyano)ethanoate?
The CAS number of ethyl (2E)-azepan-2-ylidene(cyano)ethanoate is 103639-93-6.
What is the molecular formula of ethyl (2E)-azepan-2-ylidene(cyano)ethanoate?
The molecular formula of ethyl (2E)-azepan-2-ylidene(cyano)ethanoate is C11H16N2O2.
What is the molecular weight of ethyl (2E)-azepan-2-ylidene(cyano)ethanoate?
The molecular weight of ethyl (2E)-azepan-2-ylidene(cyano)ethanoate is 208.12119 g/mol.
Where can I buy ethyl (2E)-azepan-2-ylidene(cyano)ethanoate?
You can request a quote for ethyl (2E)-azepan-2-ylidene(cyano)ethanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ethyl (2E)-azepan-2-ylidene(cyano)ethanoate?
Yes, CoreyChem provides custom synthesis services for ethyl (2E)-azepan-2-ylidene(cyano)ethanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.