acetate structure](/static/products/799/799807-73-1.png)
2-Methoxyethyl [3-(azepan-1-yl)quinoxalin-2-yl](cyano)acetate
TL;DR: 2-Methoxyethyl [3-(azepan-1-yl)quinoxalin-2-yl](cyano)acetate (CAS 799807-73-1) is a chemical compound with molecular formula C20H24N4O3 and molecular weight 368.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methoxyethyl 2-[3-(azepan-1-yl)quinoxalin-2-yl]-2-cyanoacetate
Also Known As: 2-methoxyethyl [3-(azepan-1-yl)quinoxalin-2-yl](cyano)acetate, 2-methoxyethyl 2-(3-(azepan-1-yl)quinoxalin-2-yl)-2-cyanoacetate, 2-methoxyethyl 2-[3-(azepan-1-yl)quinoxalin-2-yl]-2-cyanoacetate
| Molecular Formula | C20H24N4O3 |
|---|---|
| Molecular Weight | 368.18 g/mol |
| LogP | 2.80698 |
| Topological Polar Surface Area | 88.34 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 368.18484 |
| Heavy Atoms | 27 |
| Complexity | 825.5769 |
Chemical Identifiers
| CAS Number | 799807-73-1 |
|---|---|
| SMILES | COCCOC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCCCCC3 |
Product Overview
2-Methoxyethyl [3-(azepan-1-yl)quinoxalin-2-yl](cyano)acetate (CAS 799807-73-1), with molecular formula C20H24N4O3 and molecular weight 368.18 g/mol. IUPAC: 2-methoxyethyl 2-[3-(azepan-1-yl)quinoxalin-2-yl]-2-cyanoacetate.
Chemical Property Profile of 2-Methoxyethyl [3-(azepan-1-yl)quinoxalin-2-yl](cyano)acetate
Property Insights of 2-Methoxyethyl [3-(azepan-1-yl)quinoxalin-2-yl](cyano)acetate
The XLogP value of 2.80698 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methoxyethyl [3-(azepan-1-yl)quinoxalin-2-yl](cyano)acetate. The TPSA of 88.34 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methoxyethyl [3-(azepan-1-yl)quinoxalin-2-yl](cyano)acetate. Following Lipinski's Rule of Five, 2-Methoxyethyl [3-(azepan-1-yl)quinoxalin-2-yl](cyano)acetate has 0 hydrogen bond donor(s) and 7 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-Methoxyethyl [3-(azepan-1-yl)quinoxalin-2-yl](cyano)acetate?
The CAS number of 2-Methoxyethyl [3-(azepan-1-yl)quinoxalin-2-yl](cyano)acetate is 799807-73-1.
What is the molecular formula of 2-Methoxyethyl [3-(azepan-1-yl)quinoxalin-2-yl](cyano)acetate?
The molecular formula of 2-Methoxyethyl [3-(azepan-1-yl)quinoxalin-2-yl](cyano)acetate is C20H24N4O3.
What is the molecular weight of 2-Methoxyethyl [3-(azepan-1-yl)quinoxalin-2-yl](cyano)acetate?
The molecular weight of 2-Methoxyethyl [3-(azepan-1-yl)quinoxalin-2-yl](cyano)acetate is 368.18 g/mol.
Where can I buy 2-Methoxyethyl [3-(azepan-1-yl)quinoxalin-2-yl](cyano)acetate?
You can request a quote for 2-Methoxyethyl [3-(azepan-1-yl)quinoxalin-2-yl](cyano)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methoxyethyl [3-(azepan-1-yl)quinoxalin-2-yl](cyano)acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-Methoxyethyl [3-(azepan-1-yl)quinoxalin-2-yl](cyano)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.