Ethyl(1-Methyl-4-piperidylidene)-cyanoacetate
TL;DR: Ethyl(1-Methyl-4-piperidylidene)-cyanoacetate (CAS 62702-79-8) is a chemical compound with molecular formula C11H16N2O2 and molecular weight 208.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-cyano-2-(1-methylpiperidin-4-ylidene)acetate
Also Known As: Ethyl(1-Methyl-4-piperidylidene)-cyanoacetate, cyano-(1-methyl-piperidin-4-ylidene)-acetic acid ethyl ester, ethyl 2-cyano-2-(1-methylpiperidin-4-ylidene)acetate, Acetic acid, cyano(1-methyl-4-piperidinylidene)-, ethyl ester
| Molecular Formula | C11H16N2O2 |
|---|---|
| Molecular Weight | 208.12 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 53.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 208.12119 |
| Heavy Atoms | 15 |
| Complexity | 315.0 |
Chemical Identifiers
| CAS Number | 62702-79-8 |
|---|---|
| SMILES | CCOC(=O)C(=C1CCN(CC1)C)C#N |
| InChIKey | NDOFFNWLZSYDQP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl(1-Methyl-4-piperidylidene)-cyanoacetate (CAS 62702-79-8), with molecular formula C11H16N2O2 and molecular weight 208.12 g/mol. IUPAC: ethyl 2-cyano-2-(1-methylpiperidin-4-ylidene)acetate.
Chemical Property Profile of Ethyl(1-Methyl-4-piperidylidene)-cyanoacetate
Property Insights of Ethyl(1-Methyl-4-piperidylidene)-cyanoacetate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl(1-Methyl-4-piperidylidene)-cyanoacetate. With a topological polar surface area (TPSA) of 53.3 Ų, Ethyl(1-Methyl-4-piperidylidene)-cyanoacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl(1-Methyl-4-piperidylidene)-cyanoacetate 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
Frequently Asked Questions
What is the CAS number of Ethyl(1-Methyl-4-piperidylidene)-cyanoacetate?
The CAS number of Ethyl(1-Methyl-4-piperidylidene)-cyanoacetate is 62702-79-8.
What is the molecular formula of Ethyl(1-Methyl-4-piperidylidene)-cyanoacetate?
The molecular formula of Ethyl(1-Methyl-4-piperidylidene)-cyanoacetate is C11H16N2O2.
What is the molecular weight of Ethyl(1-Methyl-4-piperidylidene)-cyanoacetate?
The molecular weight of Ethyl(1-Methyl-4-piperidylidene)-cyanoacetate is 208.12 g/mol.
Where can I buy Ethyl(1-Methyl-4-piperidylidene)-cyanoacetate?
You can request a quote for Ethyl(1-Methyl-4-piperidylidene)-cyanoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl(1-Methyl-4-piperidylidene)-cyanoacetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl(1-Methyl-4-piperidylidene)-cyanoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.