acetate structure](/static/products/500/500271-95-4.png)
Butyl [3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl](cyano)acetate
TL;DR: Butyl [3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl](cyano)acetate (CAS 500271-95-4) is a chemical compound with molecular formula C26H29N5O2 and molecular weight 443.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 2-[3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl]-2-cyanoacetate
Also Known As: butyl [3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl](cyano)acetate, butyl 2-(3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl)-2-cyanoacetate, butyl 2-[3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl]-2-cyanoacetate, Butyl 2-[3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl]-2-cyano-acetate
| Molecular Formula | C26H29N5O2 |
|---|---|
| Molecular Weight | 443.23 g/mol |
| LogP | 3.90248 |
| Topological Polar Surface Area | 82.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 443.23212 |
| Heavy Atoms | 33 |
| Complexity | 1120.4805 |
Chemical Identifiers
| CAS Number | 500271-95-4 |
|---|---|
| SMILES | CCCCOC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCN(CC3)CC4=CC=CC=C4 |
Product Overview
Butyl [3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl](cyano)acetate (CAS 500271-95-4), with molecular formula C26H29N5O2 and molecular weight 443.23 g/mol. IUPAC: butyl 2-[3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl]-2-cyanoacetate.
Chemical Property Profile of Butyl [3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl](cyano)acetate
Property Insights of Butyl [3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl](cyano)acetate
The XLogP value of 3.90248 indicates that Butyl [3-(4-benzylpiperazin-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 Butyl [3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl](cyano)acetate. Following Lipinski's Rule of Five, Butyl [3-(4-benzylpiperazin-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 Butyl [3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl](cyano)acetate?
The CAS number of Butyl [3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl](cyano)acetate is 500271-95-4.
What is the molecular formula of Butyl [3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl](cyano)acetate?
The molecular formula of Butyl [3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl](cyano)acetate is C26H29N5O2.
What is the molecular weight of Butyl [3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl](cyano)acetate?
The molecular weight of Butyl [3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl](cyano)acetate is 443.23 g/mol.
Where can I buy Butyl [3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl](cyano)acetate?
You can request a quote for Butyl [3-(4-benzylpiperazin-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 Butyl [3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl](cyano)acetate?
Yes, KEHONG BIO provides custom synthesis services for Butyl [3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl](cyano)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.