![Benzyl {3-[4-(3-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl}(cyano)acetate structure](/static/products/843/843631-10-7.png)
Benzyl {3-[4-(3-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl}(cyano)acetate
TL;DR: Benzyl {3-[4-(3-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl}(cyano)acetate (CAS 843631-10-7) is a chemical compound with molecular formula C28H24ClN5O2 and molecular weight 497.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl]-2-cyanoacetate
Also Known As: benzyl {3-[4-(3-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl}(cyano)acetate, benzyl 2-(3-(4-(3-chlorophenyl)piperazin-1-yl)quinoxalin-2-yl)-2-cyanoacetate, Benzyl 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl]-2-cyano-acetate, benzyl 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl]-2-cyanoacetate
| Molecular Formula | C28H24ClN5O2 |
|---|---|
| Molecular Weight | 497.16 g/mol |
| LogP | 4.96038 |
| Topological Polar Surface Area | 82.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 497.16187 |
| Heavy Atoms | 36 |
| Complexity | 1414.6487 |
Chemical Identifiers
| CAS Number | 843631-10-7 |
|---|---|
| SMILES | C1CN(CCN1C2=CC(=CC=C2)Cl)C3=NC4=CC=CC=C4N=C3C(C#N)C(=O)OCC5=CC=CC=C5 |
Product Overview
Benzyl {3-[4-(3-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl}(cyano)acetate (CAS 843631-10-7), with molecular formula C28H24ClN5O2 and molecular weight 497.16 g/mol. IUPAC: benzyl 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl]-2-cyanoacetate.
Chemical Property Profile of Benzyl {3-[4-(3-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl}(cyano)acetate
Property Insights of Benzyl {3-[4-(3-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl}(cyano)acetate
The XLogP value of 4.96038 indicates that Benzyl {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 Benzyl {3-[4-(3-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl}(cyano)acetate. Following Lipinski's Rule of Five, Benzyl {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 Benzyl {3-[4-(3-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl}(cyano)acetate?
The CAS number of Benzyl {3-[4-(3-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl}(cyano)acetate is 843631-10-7.
What is the molecular formula of Benzyl {3-[4-(3-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl}(cyano)acetate?
The molecular formula of Benzyl {3-[4-(3-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl}(cyano)acetate is C28H24ClN5O2.
What is the molecular weight of Benzyl {3-[4-(3-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl}(cyano)acetate?
The molecular weight of Benzyl {3-[4-(3-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl}(cyano)acetate is 497.16 g/mol.
Where can I buy Benzyl {3-[4-(3-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl}(cyano)acetate?
You can request a quote for Benzyl {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 Benzyl {3-[4-(3-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl}(cyano)acetate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl {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.