![Hexyl cyano[3-(4-phenylpiperazin-1-yl)quinoxalin-2-yl]acetate structure](/static/products/587/587013-67-0.png)
Hexyl cyano[3-(4-phenylpiperazin-1-yl)quinoxalin-2-yl]acetate
TL;DR: Hexyl cyano[3-(4-phenylpiperazin-1-yl)quinoxalin-2-yl]acetate (CAS 587013-67-0) is a chemical compound with molecular formula C27H31N5O2 and molecular weight 457.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexyl 2-cyano-2-[3-(4-phenylpiperazin-1-yl)quinoxalin-2-yl]acetate
Also Known As: Hexyl 2-cyano-2-[3-(4-phenylpiperazin-1-yl)quinoxalin-2-yl]acetate, hexyl cyano[3-(4-phenylpiperazin-1-yl)quinoxalin-2-yl]acetate, hexyl 2-cyano-2-(3-(4-phenylpiperazin-1-yl)quinoxalin-2-yl)acetate
| Molecular Formula | C27H31N5O2 |
|---|---|
| Molecular Weight | 457.25 g/mol |
| LogP | 4.68708 |
| Topological Polar Surface Area | 82.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 457.24777 |
| Heavy Atoms | 34 |
| Complexity | 1136.7157 |
Chemical Identifiers
| CAS Number | 587013-67-0 |
|---|---|
| SMILES | CCCCCCOC(=O)C(C#N)C1=NC2=CC=CC=C2N=C1N3CCN(CC3)C4=CC=CC=C4 |
Product Overview
Hexyl cyano[3-(4-phenylpiperazin-1-yl)quinoxalin-2-yl]acetate (CAS 587013-67-0), with molecular formula C27H31N5O2 and molecular weight 457.25 g/mol. IUPAC: hexyl 2-cyano-2-[3-(4-phenylpiperazin-1-yl)quinoxalin-2-yl]acetate.
Chemical Property Profile of Hexyl cyano[3-(4-phenylpiperazin-1-yl)quinoxalin-2-yl]acetate
Property Insights of Hexyl cyano[3-(4-phenylpiperazin-1-yl)quinoxalin-2-yl]acetate
The XLogP value of 4.68708 indicates that Hexyl cyano[3-(4-phenylpiperazin-1-yl)quinoxalin-2-yl]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 Hexyl cyano[3-(4-phenylpiperazin-1-yl)quinoxalin-2-yl]acetate. Following Lipinski's Rule of Five, Hexyl cyano[3-(4-phenylpiperazin-1-yl)quinoxalin-2-yl]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 Hexyl cyano[3-(4-phenylpiperazin-1-yl)quinoxalin-2-yl]acetate?
The CAS number of Hexyl cyano[3-(4-phenylpiperazin-1-yl)quinoxalin-2-yl]acetate is 587013-67-0.
What is the molecular formula of Hexyl cyano[3-(4-phenylpiperazin-1-yl)quinoxalin-2-yl]acetate?
The molecular formula of Hexyl cyano[3-(4-phenylpiperazin-1-yl)quinoxalin-2-yl]acetate is C27H31N5O2.
What is the molecular weight of Hexyl cyano[3-(4-phenylpiperazin-1-yl)quinoxalin-2-yl]acetate?
The molecular weight of Hexyl cyano[3-(4-phenylpiperazin-1-yl)quinoxalin-2-yl]acetate is 457.25 g/mol.
Where can I buy Hexyl cyano[3-(4-phenylpiperazin-1-yl)quinoxalin-2-yl]acetate?
You can request a quote for Hexyl cyano[3-(4-phenylpiperazin-1-yl)quinoxalin-2-yl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexyl cyano[3-(4-phenylpiperazin-1-yl)quinoxalin-2-yl]acetate?
Yes, KEHONG BIO provides custom synthesis services for Hexyl cyano[3-(4-phenylpiperazin-1-yl)quinoxalin-2-yl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.