Ethyl pyrrolidino-methylenecyanoacetate
TL;DR: Ethyl pyrrolidino-methylenecyanoacetate (CAS 63746-09-8) 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-3-pyrrolidin-1-ylprop-2-enoate
Also Known As: ethyl pyrrolidino-methylenecyanoacetate, ethyl 2-cyano-3-pyrrolidin-1-ylprop-2-enoate, ethyl (E)-2-cyano-3-pyrrolidin-1-ylprop-2-enoate
| Molecular Formula | C10H14N2O2 |
|---|---|
| Molecular Weight | 194.11 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 53.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 194.10553 |
| Heavy Atoms | 14 |
| Complexity | 282.0 |
Chemical Identifiers
| CAS Number | 63746-09-8 |
|---|---|
| SMILES | CCOC(=O)C(=CN1CCCC1)C#N |
| InChIKey | QLAYEEDSEHPARC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl pyrrolidino-methylenecyanoacetate (CAS 63746-09-8), with molecular formula C10H14N2O2 and molecular weight 194.11 g/mol. IUPAC: ethyl 2-cyano-3-pyrrolidin-1-ylprop-2-enoate.
Chemical Property Profile of Ethyl pyrrolidino-methylenecyanoacetate
Property Insights of Ethyl pyrrolidino-methylenecyanoacetate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl pyrrolidino-methylenecyanoacetate. With a topological polar surface area (TPSA) of 53.3 Ų, Ethyl pyrrolidino-methylenecyanoacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl pyrrolidino-methylenecyanoacetate 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 pyrrolidino-methylenecyanoacetate?
The CAS number of Ethyl pyrrolidino-methylenecyanoacetate is 63746-09-8.
What is the molecular formula of Ethyl pyrrolidino-methylenecyanoacetate?
The molecular formula of Ethyl pyrrolidino-methylenecyanoacetate is C10H14N2O2.
What is the molecular weight of Ethyl pyrrolidino-methylenecyanoacetate?
The molecular weight of Ethyl pyrrolidino-methylenecyanoacetate is 194.11 g/mol.
Where can I buy Ethyl pyrrolidino-methylenecyanoacetate?
You can request a quote for Ethyl pyrrolidino-methylenecyanoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl pyrrolidino-methylenecyanoacetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl pyrrolidino-methylenecyanoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.