Ethyl 2-cyano-2-(1,2-dihydroquinoxalin-2-ylidene)acetate
TL;DR: Ethyl 2-cyano-2-(1,2-dihydroquinoxalin-2-ylidene)acetate (CAS 330982-06-4) 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 (2E)-2-cyano-2-(1H-quinoxalin-2-ylidene)acetate
Also Known As: BAS 00318703, ethyl 2-cyano-2-(1,2-dihydroquinoxalin-2-ylidene)acetate, Cyano-(1H-quinoxalin-2-ylidene)-acetic acid ethyl ester, ethyl (2E)-2-cyano-2-(1H-quinoxalin-2-ylidene)acetate
| Molecular Formula | C13H11N3O2 |
|---|---|
| Molecular Weight | 241.09 g/mol |
| LogP | 2.15518 |
| Topological Polar Surface Area | 74.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 241.08513 |
| Heavy Atoms | 18 |
| Complexity | 582.1443 |
Chemical Identifiers
| CAS Number | 330982-06-4 |
|---|---|
| SMILES | CCOC(=O)/C(=C/1\C=NC2=CC=CC=C2N1)/C#N |
Product Overview
Ethyl 2-cyano-2-(1,2-dihydroquinoxalin-2-ylidene)acetate (CAS 330982-06-4), with molecular formula C13H11N3O2 and molecular weight 241.09 g/mol. IUPAC: ethyl (2E)-2-cyano-2-(1H-quinoxalin-2-ylidene)acetate.
Chemical Property Profile of Ethyl 2-cyano-2-(1,2-dihydroquinoxalin-2-ylidene)acetate
Property Insights of Ethyl 2-cyano-2-(1,2-dihydroquinoxalin-2-ylidene)acetate
The XLogP value of 2.15518 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-cyano-2-(1,2-dihydroquinoxalin-2-ylidene)acetate. The TPSA of 74.48 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-cyano-2-(1,2-dihydroquinoxalin-2-ylidene)acetate. Following Lipinski's Rule of Five, Ethyl 2-cyano-2-(1,2-dihydroquinoxalin-2-ylidene)acetate 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-2-(1,2-dihydroquinoxalin-2-ylidene)acetate?
The CAS number of Ethyl 2-cyano-2-(1,2-dihydroquinoxalin-2-ylidene)acetate is 330982-06-4.
What is the molecular formula of Ethyl 2-cyano-2-(1,2-dihydroquinoxalin-2-ylidene)acetate?
The molecular formula of Ethyl 2-cyano-2-(1,2-dihydroquinoxalin-2-ylidene)acetate is C13H11N3O2.
What is the molecular weight of Ethyl 2-cyano-2-(1,2-dihydroquinoxalin-2-ylidene)acetate?
The molecular weight of Ethyl 2-cyano-2-(1,2-dihydroquinoxalin-2-ylidene)acetate is 241.09 g/mol.
Where can I buy Ethyl 2-cyano-2-(1,2-dihydroquinoxalin-2-ylidene)acetate?
You can request a quote for Ethyl 2-cyano-2-(1,2-dihydroquinoxalin-2-ylidene)acetate 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-2-(1,2-dihydroquinoxalin-2-ylidene)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-cyano-2-(1,2-dihydroquinoxalin-2-ylidene)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.