Ethyl 2-cyano-2-(1-methylpyrrolidin-2-ylidene)acetate
TL;DR: Ethyl 2-cyano-2-(1-methylpyrrolidin-2-ylidene)acetate (CAS 21985-16-0) is a chemical compound with molecular formula C10H14N2O2 and molecular weight 194.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-cyano-2-(1-methylpyrrolidin-2-ylidene)acetate
Also Known As: ethyl 2-cyano-2-(1-methylpyrrolidin-2-ylidene)acetate, 3-phenyl-1-thiophen-2-yl-propyn-1-one, Ethyl cyano(1-methylpyrrolidin-2-ylidene)acetate, Acetic acid,2-cyano-2-(1-methyl-2-pyrrolidinylidene)-, ethyl ester
| Molecular Formula | C10H14N2O2 |
|---|---|
| Molecular Weight | 194.11 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 53.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 194.10553 |
| Heavy Atoms | 14 |
| Complexity | 311.0 |
Chemical Identifiers
| CAS Number | 21985-16-0 |
|---|---|
| SMILES | CCOC(=O)C(=C1CCCN1C)C#N |
| InChIKey | BOEKIVLOUKLZBQ-UHFFFAOYSA-N |
Product Overview
Ethyl 2-cyano-2-(1-methylpyrrolidin-2-ylidene)acetate (CAS 21985-16-0), with molecular formula C10H14N2O2 and molecular weight 194.11 g/mol. IUPAC: ethyl 2-cyano-2-(1-methylpyrrolidin-2-ylidene)acetate.
Chemical Property Profile of Ethyl 2-cyano-2-(1-methylpyrrolidin-2-ylidene)acetate
Property Insights of Ethyl 2-cyano-2-(1-methylpyrrolidin-2-ylidene)acetate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-cyano-2-(1-methylpyrrolidin-2-ylidene)acetate. With a topological polar surface area (TPSA) of 53.3 Ų, Ethyl 2-cyano-2-(1-methylpyrrolidin-2-ylidene)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-cyano-2-(1-methylpyrrolidin-2-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
Frequently Asked Questions
What is the CAS number of Ethyl 2-cyano-2-(1-methylpyrrolidin-2-ylidene)acetate?
The CAS number of Ethyl 2-cyano-2-(1-methylpyrrolidin-2-ylidene)acetate is 21985-16-0.
What is the molecular formula of Ethyl 2-cyano-2-(1-methylpyrrolidin-2-ylidene)acetate?
The molecular formula of Ethyl 2-cyano-2-(1-methylpyrrolidin-2-ylidene)acetate is C10H14N2O2.
What is the molecular weight of Ethyl 2-cyano-2-(1-methylpyrrolidin-2-ylidene)acetate?
The molecular weight of Ethyl 2-cyano-2-(1-methylpyrrolidin-2-ylidene)acetate is 194.11 g/mol.
Where can I buy Ethyl 2-cyano-2-(1-methylpyrrolidin-2-ylidene)acetate?
You can request a quote for Ethyl 2-cyano-2-(1-methylpyrrolidin-2-ylidene)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-cyano-2-(1-methylpyrrolidin-2-ylidene)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-cyano-2-(1-methylpyrrolidin-2-ylidene)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.