2-Cyano-3-(pyridin-2-ylamino)-acrylic acid ethyl ester
TL;DR: 2-Cyano-3-(pyridin-2-ylamino)-acrylic acid ethyl ester (CAS 5284-85-5) 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 (E)-2-cyano-3-(pyridin-2-ylamino)prop-2-enoate
Also Known As: 2-Cyano-3-(pyridin-2-ylamino)-acrylic acid ethyl ester, BAS 00556710, Ethyl 2-cyano-3-(pyridin-2-ylamino)acrylate, BIM-0016424.P001, ethyl 2-cyano-3-(pyridin-2-ylamino)propenoate
| Molecular Formula | C11H11N3O2 |
|---|---|
| Molecular Weight | 217.09 g/mol |
| LogP | 1.46408 |
| Topological Polar Surface Area | 75.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 217.08513 |
| Heavy Atoms | 16 |
| Complexity | 420.60587 |
Chemical Identifiers
| CAS Number | 5284-85-5 |
|---|---|
| SMILES | CCOC(=O)/C(=C/NC1=CC=CC=N1)/C#N |
Product Overview
2-Cyano-3-(pyridin-2-ylamino)-acrylic acid ethyl ester (CAS 5284-85-5), with molecular formula C11H11N3O2 and molecular weight 217.09 g/mol. IUPAC: ethyl (E)-2-cyano-3-(pyridin-2-ylamino)prop-2-enoate.
Chemical Property Profile of 2-Cyano-3-(pyridin-2-ylamino)-acrylic acid ethyl ester
Property Insights of 2-Cyano-3-(pyridin-2-ylamino)-acrylic acid ethyl ester
The XLogP value of 1.46408 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Cyano-3-(pyridin-2-ylamino)-acrylic acid ethyl ester. The TPSA of 75.01 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Cyano-3-(pyridin-2-ylamino)-acrylic acid ethyl ester. Following Lipinski's Rule of Five, 2-Cyano-3-(pyridin-2-ylamino)-acrylic acid ethyl ester 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 2-Cyano-3-(pyridin-2-ylamino)-acrylic acid ethyl ester?
The CAS number of 2-Cyano-3-(pyridin-2-ylamino)-acrylic acid ethyl ester is 5284-85-5.
What is the molecular formula of 2-Cyano-3-(pyridin-2-ylamino)-acrylic acid ethyl ester?
The molecular formula of 2-Cyano-3-(pyridin-2-ylamino)-acrylic acid ethyl ester is C11H11N3O2.
What is the molecular weight of 2-Cyano-3-(pyridin-2-ylamino)-acrylic acid ethyl ester?
The molecular weight of 2-Cyano-3-(pyridin-2-ylamino)-acrylic acid ethyl ester is 217.09 g/mol.
Where can I buy 2-Cyano-3-(pyridin-2-ylamino)-acrylic acid ethyl ester?
You can request a quote for 2-Cyano-3-(pyridin-2-ylamino)-acrylic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Cyano-3-(pyridin-2-ylamino)-acrylic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Cyano-3-(pyridin-2-ylamino)-acrylic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.