Ethyl 2-cyano-3-(2-pyridylamino)acrylate
TL;DR: Ethyl 2-cyano-3-(2-pyridylamino)acrylate (CAS 69372-23-2) is a chemical compound with molecular formula C11H11N3O2 and molecular weight 217.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-cyano-3-(pyridin-2-ylamino)prop-2-enoate
Also Known As: ethyl 2-cyano-3-(2-pyridylamino)acrylate, ethyl 2-cyano-3-(pyridin-2-ylamino)prop-2-enoate, 2-Cyano-3-(pyridin-2-ylamino)-acrylic acid ethyl ester, ethyl 2-cyano-3-(2-pyridylamino)prop-2-enoate, ethyl (2Z)-2-cyano-3-[(pyridin-2-yl)amino]prop-2-enoate
| Molecular Formula | C11H11N3O2 |
|---|---|
| Molecular Weight | 217.09 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 75.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 217.08513 |
| Heavy Atoms | 16 |
| Complexity | 316.0 |
Chemical Identifiers
| CAS Number | 69372-23-2 |
|---|---|
| SMILES | CCOC(=O)C(=CNC1=CC=CC=N1)C#N |
| InChIKey | UUFLNGMDHRHDOH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2-cyano-3-(2-pyridylamino)acrylate (CAS 69372-23-2), with molecular formula C11H11N3O2 and molecular weight 217.09 g/mol. IUPAC: ethyl 2-cyano-3-(pyridin-2-ylamino)prop-2-enoate.
Chemical Property Profile of Ethyl 2-cyano-3-(2-pyridylamino)acrylate
Property Insights of Ethyl 2-cyano-3-(2-pyridylamino)acrylate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-cyano-3-(2-pyridylamino)acrylate. The TPSA of 75.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-cyano-3-(2-pyridylamino)acrylate. Following Lipinski's Rule of Five, Ethyl 2-cyano-3-(2-pyridylamino)acrylate has 1 hydrogen bond donor(s) and 5 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-3-(2-pyridylamino)acrylate?
The CAS number of Ethyl 2-cyano-3-(2-pyridylamino)acrylate is 69372-23-2.
What is the molecular formula of Ethyl 2-cyano-3-(2-pyridylamino)acrylate?
The molecular formula of Ethyl 2-cyano-3-(2-pyridylamino)acrylate is C11H11N3O2.
What is the molecular weight of Ethyl 2-cyano-3-(2-pyridylamino)acrylate?
The molecular weight of Ethyl 2-cyano-3-(2-pyridylamino)acrylate is 217.09 g/mol.
Where can I buy Ethyl 2-cyano-3-(2-pyridylamino)acrylate?
You can request a quote for Ethyl 2-cyano-3-(2-pyridylamino)acrylate 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-3-(2-pyridylamino)acrylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-cyano-3-(2-pyridylamino)acrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.