ethyl 1-(3-(2-(allyloxy)-1-cyano-2-oxoethyl)quinoxalin-2-yl)piperidine-4-carboxylate
TL;DR: ethyl 1-(3-(2-(allyloxy)-1-cyano-2-oxoethyl)quinoxalin-2-yl)piperidine-4-carboxylate (CAS 799791-98-3) is a chemical compound with molecular formula C22H24N4O4 and molecular weight 408.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-[3-(1-cyano-2-oxo-2-prop-2-enoxyethyl)quinoxalin-2-yl]piperidine-4-carboxylate
Also Known As: ethyl 1-(3-(2-(allyloxy)-1-cyano-2-oxoethyl)quinoxalin-2-yl)piperidine-4-carboxylate, ethyl 1-[3-(1-cyano-2-oxo-2-prop-2-enoxyethyl)quinoxalin-2-yl]piperidine-4-carboxylate, ethyl 1-{3-[1-cyano-2-oxo-2-(prop-2-en-1-yloxy)ethyl]quinoxalin-2-yl}piperidine-4-carboxylate
| Molecular Formula | C22H24N4O4 |
|---|---|
| Molecular Weight | 408.18 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 408.17975 |
| Heavy Atoms | 30 |
| Complexity | 667.0 |
Chemical Identifiers
| CAS Number | 799791-98-3 |
|---|---|
| SMILES | CCOC(=O)C1CCN(CC1)C2=NC3=CC=CC=C3N=C2C(C#N)C(=O)OCC=C |
| InChIKey | CQNUWVSWXKUKKI-UHFFFAOYSA-N |
Product Overview
ethyl 1-(3-(2-(allyloxy)-1-cyano-2-oxoethyl)quinoxalin-2-yl)piperidine-4-carboxylate (CAS 799791-98-3), with molecular formula C22H24N4O4 and molecular weight 408.18 g/mol. IUPAC: ethyl 1-[3-(1-cyano-2-oxo-2-prop-2-enoxyethyl)quinoxalin-2-yl]piperidine-4-carboxylate.
Chemical Property Profile of ethyl 1-(3-(2-(allyloxy)-1-cyano-2-oxoethyl)quinoxalin-2-yl)piperidine-4-carboxylate
Property Insights of ethyl 1-(3-(2-(allyloxy)-1-cyano-2-oxoethyl)quinoxalin-2-yl)piperidine-4-carboxylate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 1-(3-(2-(allyloxy)-1-cyano-2-oxoethyl)quinoxalin-2-yl)piperidine-4-carboxylate. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 1-(3-(2-(allyloxy)-1-cyano-2-oxoethyl)quinoxalin-2-yl)piperidine-4-carboxylate. Following Lipinski's Rule of Five, ethyl 1-(3-(2-(allyloxy)-1-cyano-2-oxoethyl)quinoxalin-2-yl)piperidine-4-carboxylate has 0 hydrogen bond donor(s) and 8 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 1-(3-(2-(allyloxy)-1-cyano-2-oxoethyl)quinoxalin-2-yl)piperidine-4-carboxylate?
The CAS number of ethyl 1-(3-(2-(allyloxy)-1-cyano-2-oxoethyl)quinoxalin-2-yl)piperidine-4-carboxylate is 799791-98-3.
What is the molecular formula of ethyl 1-(3-(2-(allyloxy)-1-cyano-2-oxoethyl)quinoxalin-2-yl)piperidine-4-carboxylate?
The molecular formula of ethyl 1-(3-(2-(allyloxy)-1-cyano-2-oxoethyl)quinoxalin-2-yl)piperidine-4-carboxylate is C22H24N4O4.
What is the molecular weight of ethyl 1-(3-(2-(allyloxy)-1-cyano-2-oxoethyl)quinoxalin-2-yl)piperidine-4-carboxylate?
The molecular weight of ethyl 1-(3-(2-(allyloxy)-1-cyano-2-oxoethyl)quinoxalin-2-yl)piperidine-4-carboxylate is 408.18 g/mol.
Where can I buy ethyl 1-(3-(2-(allyloxy)-1-cyano-2-oxoethyl)quinoxalin-2-yl)piperidine-4-carboxylate?
You can request a quote for ethyl 1-(3-(2-(allyloxy)-1-cyano-2-oxoethyl)quinoxalin-2-yl)piperidine-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 1-(3-(2-(allyloxy)-1-cyano-2-oxoethyl)quinoxalin-2-yl)piperidine-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 1-(3-(2-(allyloxy)-1-cyano-2-oxoethyl)quinoxalin-2-yl)piperidine-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.