![2-methylpropyl {3-[4-(3-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl}(cyano)acetate structure](/static/products/840/840469-48-9.png)
2-methylpropyl {3-[4-(3-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl}(cyano)acetate
TL;DR: 2-methylpropyl {3-[4-(3-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl}(cyano)acetate (CAS 840469-48-9) is a chemical compound with molecular formula C25H26ClN5O2 and molecular weight 463.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylpropyl 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl]-2-cyanoacetate
Also Known As: 2-methylpropyl {3-[4-(3-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl}(cyano)acetate, 2-methylpropyl 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl]-2-cyano-acetate, 2-methylpropyl 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl]-2-cyanoacetate, isobutyl 2-(3-(4-(3-chlorophenyl)piperazin-1-yl)quinoxalin-2-yl)-2-cyanoacetate
| Molecular Formula | C25H26ClN5O2 |
|---|---|
| Molecular Weight | 463.18 g/mol |
| LogP | 4.41618 |
| Topological Polar Surface Area | 82.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 463.1775 |
| Heavy Atoms | 33 |
| Complexity | 1184.876 |
Chemical Identifiers
| CAS Number | 840469-48-9 |
|---|---|
| SMILES | CC(C)COC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCN(CC3)C4=CC(=CC=C4)Cl |
Product Overview
2-methylpropyl {3-[4-(3-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl}(cyano)acetate (CAS 840469-48-9), with molecular formula C25H26ClN5O2 and molecular weight 463.18 g/mol. IUPAC: 2-methylpropyl 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl]-2-cyanoacetate.
Chemical Property Profile of 2-methylpropyl {3-[4-(3-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl}(cyano)acetate
Property Insights of 2-methylpropyl {3-[4-(3-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl}(cyano)acetate
The XLogP value of 4.41618 indicates that 2-methylpropyl {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 2-methylpropyl {3-[4-(3-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl}(cyano)acetate. Following Lipinski's Rule of Five, 2-methylpropyl {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 2-methylpropyl {3-[4-(3-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl}(cyano)acetate?
The CAS number of 2-methylpropyl {3-[4-(3-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl}(cyano)acetate is 840469-48-9.
What is the molecular formula of 2-methylpropyl {3-[4-(3-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl}(cyano)acetate?
The molecular formula of 2-methylpropyl {3-[4-(3-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl}(cyano)acetate is C25H26ClN5O2.
What is the molecular weight of 2-methylpropyl {3-[4-(3-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl}(cyano)acetate?
The molecular weight of 2-methylpropyl {3-[4-(3-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl}(cyano)acetate is 463.18 g/mol.
Where can I buy 2-methylpropyl {3-[4-(3-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl}(cyano)acetate?
You can request a quote for 2-methylpropyl {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 2-methylpropyl {3-[4-(3-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl}(cyano)acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-methylpropyl {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.