Ethyl 2-cyano-2-(1,2,5-trimethylpiperidin-4-ylidene)acetate
TL;DR: Ethyl 2-cyano-2-(1,2,5-trimethylpiperidin-4-ylidene)acetate (CAS 103660-71-5) is a chemical compound with molecular formula C13H20N2O2 and molecular weight 236.15248 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl (2E)-2-cyano-2-(1,2,5-trimethylpiperidin-4-ylidene)acetate
Also Known As: ethyl 2-cyano-2-(1,2,5-trimethylpiperidin-4-ylidene)acetate
Technical Specifications
| Molecular Formula | C13H20N2O2 |
| Molecular Weight | 236.15248 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 53.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 236.15248 Da |
| Heavy Atoms | 17 |
| Complexity | 378.0 |
| SMILES | CCOC(=O)/C(=C/1\CC(N(CC1C)C)C)/C#N |
| InChIKey | BDKQNXZHEKKITA-VAWYXSNFSA-N |
Chemical Property Profile of Ethyl 2-cyano-2-(1,2,5-trimethylpiperidin-4-ylidene)acetate
Property Insights of Ethyl 2-cyano-2-(1,2,5-trimethylpiperidin-4-ylidene)acetate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-cyano-2-(1,2,5-trimethylpiperidin-4-ylidene)acetate. With a topological polar surface area (TPSA) of 53.3 Ų, Ethyl 2-cyano-2-(1,2,5-trimethylpiperidin-4-ylidene)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-cyano-2-(1,2,5-trimethylpiperidin-4-ylidene)acetate 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-2-(1,2,5-trimethylpiperidin-4-ylidene)acetate?
The CAS number of Ethyl 2-cyano-2-(1,2,5-trimethylpiperidin-4-ylidene)acetate is 103660-71-5.
What is the molecular formula of Ethyl 2-cyano-2-(1,2,5-trimethylpiperidin-4-ylidene)acetate?
The molecular formula of Ethyl 2-cyano-2-(1,2,5-trimethylpiperidin-4-ylidene)acetate is C13H20N2O2.
What is the molecular weight of Ethyl 2-cyano-2-(1,2,5-trimethylpiperidin-4-ylidene)acetate?
The molecular weight of Ethyl 2-cyano-2-(1,2,5-trimethylpiperidin-4-ylidene)acetate is 236.15248 g/mol.
Where can I buy Ethyl 2-cyano-2-(1,2,5-trimethylpiperidin-4-ylidene)acetate?
You can request a quote for Ethyl 2-cyano-2-(1,2,5-trimethylpiperidin-4-ylidene)acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 2-cyano-2-(1,2,5-trimethylpiperidin-4-ylidene)acetate?
Yes, CoreyChem provides custom synthesis services for Ethyl 2-cyano-2-(1,2,5-trimethylpiperidin-4-ylidene)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.