![Methyl {3-[4-(3-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl}(cyano)acetate structure](/static/products/496/496798-86-8.png)
Methyl {3-[4-(3-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl}(cyano)acetate
TL;DR: Methyl {3-[4-(3-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl}(cyano)acetate (CAS 496798-86-8) is a chemical compound with molecular formula C22H20ClN5O2 and molecular weight 421.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl]-2-cyanoacetate
Also Known As: methyl {3-[4-(3-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl}(cyano)acetate, methyl 2-(3-(4-(3-chlorophenyl)piperazin-1-yl)quinoxalin-2-yl)-2-cyanoacetate, Methyl 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl]-2-cyano-acetate, methyl 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl]-2-cyanoacetate
| Molecular Formula | C22H20ClN5O2 |
|---|---|
| Molecular Weight | 421.13 g/mol |
| LogP | 3.38998 |
| Topological Polar Surface Area | 82.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 421.13055 |
| Heavy Atoms | 30 |
| Complexity | 1121.9562 |
Chemical Identifiers
| CAS Number | 496798-86-8 |
|---|---|
| SMILES | COC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCN(CC3)C4=CC(=CC=C4)Cl |
Product Overview
Methyl {3-[4-(3-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl}(cyano)acetate (CAS 496798-86-8), with molecular formula C22H20ClN5O2 and molecular weight 421.13 g/mol. IUPAC: methyl 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl]-2-cyanoacetate.
Chemical Property Profile of Methyl {3-[4-(3-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl}(cyano)acetate
Property Insights of Methyl {3-[4-(3-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl}(cyano)acetate
The XLogP value of 3.38998 indicates that Methyl {3-[4-(3-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl}(cyano)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.35 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl {3-[4-(3-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl}(cyano)acetate. Following Lipinski's Rule of Five, Methyl {3-[4-(3-chlorophenyl)piperazin-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 Methyl {3-[4-(3-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl}(cyano)acetate?
The CAS number of Methyl {3-[4-(3-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl}(cyano)acetate is 496798-86-8.
What is the molecular formula of Methyl {3-[4-(3-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl}(cyano)acetate?
The molecular formula of Methyl {3-[4-(3-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl}(cyano)acetate is C22H20ClN5O2.
What is the molecular weight of Methyl {3-[4-(3-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl}(cyano)acetate?
The molecular weight of Methyl {3-[4-(3-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl}(cyano)acetate is 421.13 g/mol.
Where can I buy Methyl {3-[4-(3-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl}(cyano)acetate?
You can request a quote for Methyl {3-[4-(3-chlorophenyl)piperazin-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 Methyl {3-[4-(3-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl}(cyano)acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl {3-[4-(3-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl}(cyano)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.