Ethyl cyano(2-quinoxalinyl)acetate
TL;DR: Ethyl cyano(2-quinoxalinyl)acetate (CAS 17357-82-3) is a chemical compound with molecular formula C13H11N3O2 and molecular weight 241.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-cyano-2-quinoxalin-2-ylacetate
Also Known As: Ethyl cyano(2-quinoxalinyl)acetate, ethyl 2-cyano-2-quinoxalin-2-ylacetate, ethyl 2-cyano-2-(quinoxalin-2-yl)acetate, Cyano(2-quinoxalinyl)acetic acid ethyl ester, J2.548.227A
| Molecular Formula | C13H11N3O2 |
|---|---|
| Molecular Weight | 241.09 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 75.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 241.08513 |
| Heavy Atoms | 18 |
| Complexity | 349.0 |
Chemical Identifiers
| CAS Number | 17357-82-3 |
|---|---|
| SMILES | CCOC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1 |
| InChIKey | KKQBQZXMEPUMLX-UHFFFAOYSA-N |
Product Overview
Ethyl cyano(2-quinoxalinyl)acetate (CAS 17357-82-3), with molecular formula C13H11N3O2 and molecular weight 241.09 g/mol. IUPAC: ethyl 2-cyano-2-quinoxalin-2-ylacetate.
Chemical Property Profile of Ethyl cyano(2-quinoxalinyl)acetate
Property Insights of Ethyl cyano(2-quinoxalinyl)acetate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl cyano(2-quinoxalinyl)acetate. The TPSA of 75.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl cyano(2-quinoxalinyl)acetate. Following Lipinski's Rule of Five, Ethyl cyano(2-quinoxalinyl)acetate has 0 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 cyano(2-quinoxalinyl)acetate?
The CAS number of Ethyl cyano(2-quinoxalinyl)acetate is 17357-82-3.
What is the molecular formula of Ethyl cyano(2-quinoxalinyl)acetate?
The molecular formula of Ethyl cyano(2-quinoxalinyl)acetate is C13H11N3O2.
What is the molecular weight of Ethyl cyano(2-quinoxalinyl)acetate?
The molecular weight of Ethyl cyano(2-quinoxalinyl)acetate is 241.09 g/mol.
Where can I buy Ethyl cyano(2-quinoxalinyl)acetate?
You can request a quote for Ethyl cyano(2-quinoxalinyl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl cyano(2-quinoxalinyl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl cyano(2-quinoxalinyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.