acetate structure](/static/products/799/799828-15-2.png)
Prop-2-en-1-yl [3-(azepan-1-yl)quinoxalin-2-yl](cyano)acetate
TL;DR: Prop-2-en-1-yl [3-(azepan-1-yl)quinoxalin-2-yl](cyano)acetate (CAS 799828-15-2) is a chemical compound with molecular formula C20H22N4O2 and molecular weight 350.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl 2-[3-(azepan-1-yl)quinoxalin-2-yl]-2-cyanoacetate
Also Known As: allyl 2-(3-(azepan-1-yl)quinoxalin-2-yl)-2-cyanoacetate, prop-2-en-1-yl [3-(azepan-1-yl)quinoxalin-2-yl](cyano)acetate, prop-2-enyl 2-[3-(azepan-1-yl)quinoxalin-2-yl]-2-cyanoacetate
| Molecular Formula | C20H22N4O2 |
|---|---|
| Molecular Weight | 350.17 g/mol |
| LogP | 3.34658 |
| Topological Polar Surface Area | 79.11 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 350.1743 |
| Heavy Atoms | 26 |
| Complexity | 835.31036 |
Chemical Identifiers
| CAS Number | 799828-15-2 |
|---|---|
| SMILES | C=CCOC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCCCCC3 |
Product Overview
Prop-2-en-1-yl [3-(azepan-1-yl)quinoxalin-2-yl](cyano)acetate (CAS 799828-15-2), with molecular formula C20H22N4O2 and molecular weight 350.17 g/mol. IUPAC: prop-2-enyl 2-[3-(azepan-1-yl)quinoxalin-2-yl]-2-cyanoacetate.
Chemical Property Profile of Prop-2-en-1-yl [3-(azepan-1-yl)quinoxalin-2-yl](cyano)acetate
Property Insights of Prop-2-en-1-yl [3-(azepan-1-yl)quinoxalin-2-yl](cyano)acetate
The XLogP value of 3.34658 indicates that Prop-2-en-1-yl [3-(azepan-1-yl)quinoxalin-2-yl](cyano)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.11 Ų falls within the moderate polarity range, balancing permeability and solubility for Prop-2-en-1-yl [3-(azepan-1-yl)quinoxalin-2-yl](cyano)acetate. Following Lipinski's Rule of Five, Prop-2-en-1-yl [3-(azepan-1-yl)quinoxalin-2-yl](cyano)acetate has 0 hydrogen bond donor(s) and 6 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 Prop-2-en-1-yl [3-(azepan-1-yl)quinoxalin-2-yl](cyano)acetate?
The CAS number of Prop-2-en-1-yl [3-(azepan-1-yl)quinoxalin-2-yl](cyano)acetate is 799828-15-2.
What is the molecular formula of Prop-2-en-1-yl [3-(azepan-1-yl)quinoxalin-2-yl](cyano)acetate?
The molecular formula of Prop-2-en-1-yl [3-(azepan-1-yl)quinoxalin-2-yl](cyano)acetate is C20H22N4O2.
What is the molecular weight of Prop-2-en-1-yl [3-(azepan-1-yl)quinoxalin-2-yl](cyano)acetate?
The molecular weight of Prop-2-en-1-yl [3-(azepan-1-yl)quinoxalin-2-yl](cyano)acetate is 350.17 g/mol.
Where can I buy Prop-2-en-1-yl [3-(azepan-1-yl)quinoxalin-2-yl](cyano)acetate?
You can request a quote for Prop-2-en-1-yl [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 Prop-2-en-1-yl [3-(azepan-1-yl)quinoxalin-2-yl](cyano)acetate?
Yes, KEHONG BIO provides custom synthesis services for Prop-2-en-1-yl [3-(azepan-1-yl)quinoxalin-2-yl](cyano)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.