acetate structure](/static/products/585/585562-56-7.png)
Benzyl [3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl](cyano)acetate
TL;DR: Benzyl [3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl](cyano)acetate (CAS 585562-56-7) is a chemical compound with molecular formula C29H27N5O2 and molecular weight 477.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2-[3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl]-2-cyanoacetate
Also Known As: benzyl [3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl](cyano)acetate, benzyl 2-(3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl)-2-cyanoacetate, Benzyl 2-[3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl]-2-cyano-acetate, benzyl 2-[3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl]-2-cyanoacetate
| Molecular Formula | C29H27N5O2 |
|---|---|
| Molecular Weight | 477.22 g/mol |
| LogP | 4.30258 |
| Topological Polar Surface Area | 82.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 477.21646 |
| Heavy Atoms | 36 |
| Complexity | 1363.0812 |
Chemical Identifiers
| CAS Number | 585562-56-7 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC=CC=C2)C3=NC4=CC=CC=C4N=C3C(C#N)C(=O)OCC5=CC=CC=C5 |
Product Overview
Benzyl [3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl](cyano)acetate (CAS 585562-56-7), with molecular formula C29H27N5O2 and molecular weight 477.22 g/mol. IUPAC: benzyl 2-[3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl]-2-cyanoacetate.
Chemical Property Profile of Benzyl [3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl](cyano)acetate
Property Insights of Benzyl [3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl](cyano)acetate
The XLogP value of 4.30258 indicates that Benzyl [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 Benzyl [3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl](cyano)acetate. Following Lipinski's Rule of Five, Benzyl [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 Benzyl [3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl](cyano)acetate?
The CAS number of Benzyl [3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl](cyano)acetate is 585562-56-7.
What is the molecular formula of Benzyl [3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl](cyano)acetate?
The molecular formula of Benzyl [3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl](cyano)acetate is C29H27N5O2.
What is the molecular weight of Benzyl [3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl](cyano)acetate?
The molecular weight of Benzyl [3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl](cyano)acetate is 477.22 g/mol.
Where can I buy Benzyl [3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl](cyano)acetate?
You can request a quote for Benzyl [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 Benzyl [3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl](cyano)acetate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl [3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl](cyano)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.