Ethyl 2-cyano-3-quinolin-4-ylacrylate
TL;DR: Ethyl 2-cyano-3-quinolin-4-ylacrylate (CAS 177616-95-4) is a chemical compound with molecular formula C15H12N2O2 and molecular weight 252.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-cyano-3-quinolin-4-ylprop-2-enoate
Also Known As: ethyl 2-cyano-3-quinolin-4-ylacrylate, ethyl 2-cyano-3-quinolin-4-ylprop-2-enoate, NCI60_021098, Ethyl 2-cyano-3-(quinolin-4-yl)prop-2-enoate, 1-Aziridinecarboxylic acid,2-methyl-,1,1-dimethylethyl ester
| Molecular Formula | C15H12N2O2 |
|---|---|
| Molecular Weight | 252.09 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 63.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 252.08987 |
| Heavy Atoms | 19 |
| Complexity | 408.0 |
Chemical Identifiers
| CAS Number | 177616-95-4 |
|---|---|
| SMILES | CCOC(=O)C(=CC1=CC=NC2=CC=CC=C12)C#N |
| InChIKey | NHAQXIGAEKRJQM-UHFFFAOYSA-N |
Product Overview
Ethyl 2-cyano-3-quinolin-4-ylacrylate (CAS 177616-95-4), with molecular formula C15H12N2O2 and molecular weight 252.09 g/mol. IUPAC: ethyl 2-cyano-3-quinolin-4-ylprop-2-enoate.
Chemical Property Profile of Ethyl 2-cyano-3-quinolin-4-ylacrylate
Property Insights of Ethyl 2-cyano-3-quinolin-4-ylacrylate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-cyano-3-quinolin-4-ylacrylate. The TPSA of 63.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-cyano-3-quinolin-4-ylacrylate. Following Lipinski's Rule of Five, Ethyl 2-cyano-3-quinolin-4-ylacrylate 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-3-quinolin-4-ylacrylate?
The CAS number of Ethyl 2-cyano-3-quinolin-4-ylacrylate is 177616-95-4.
What is the molecular formula of Ethyl 2-cyano-3-quinolin-4-ylacrylate?
The molecular formula of Ethyl 2-cyano-3-quinolin-4-ylacrylate is C15H12N2O2.
What is the molecular weight of Ethyl 2-cyano-3-quinolin-4-ylacrylate?
The molecular weight of Ethyl 2-cyano-3-quinolin-4-ylacrylate is 252.09 g/mol.
Where can I buy Ethyl 2-cyano-3-quinolin-4-ylacrylate?
You can request a quote for Ethyl 2-cyano-3-quinolin-4-ylacrylate 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-quinolin-4-ylacrylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-cyano-3-quinolin-4-ylacrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.