![[3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl][(3-methylphenyl)sulfonyl]acetonitrile structure](/static/products/847/847244-99-9.png)
[3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl][(3-methylphenyl)sulfonyl]acetonitrile
TL;DR: [3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl][(3-methylphenyl)sulfonyl]acetonitrile (CAS 847244-99-9) is a chemical compound with molecular formula C28H27N5O2S and molecular weight 497.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl]-2-(3-methylphenyl)sulfonylacetonitrile
Also Known As: [3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl][(3-methylphenyl)sulfonyl]acetonitrile|2-(3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl)-2-(m-tolylsulfonyl)acetonitrile|2-[3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl]-2-(3-methylphenyl)sulfonyl-acetonitrile|2-[3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl]-2-(3-methylphenyl)sulfonylacetonitrile
| Molecular Formula | C28H27N5O2S |
|---|---|
| Molecular Weight | 497.19 g/mol |
| LogP | 4.299 |
| Topological Polar Surface Area | 90.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 497.18854 |
| Heavy Atoms | 36 |
| Complexity | 1524.8754 |
Chemical Identifiers
| CAS Number | 847244-99-9 |
|---|---|
| SMILES | CC1=CC(=CC=C1)S(=O)(=O)C(C#N)C2=NC3=CC=CC=C3N=C2N4CCN(CC4)CC5=CC=CC=C5 |
Product Overview
[3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl][(3-methylphenyl)sulfonyl]acetonitrile (CAS 847244-99-9), with molecular formula C28H27N5O2S and molecular weight 497.19 g/mol. IUPAC: 2-[3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl]-2-(3-methylphenyl)sulfonylacetonitrile.
Chemical Property Profile of [3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl][(3-methylphenyl)sulfonyl]acetonitrile
Property Insights of [3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl][(3-methylphenyl)sulfonyl]acetonitrile
The XLogP value of 4.299 indicates that [3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl][(3-methylphenyl)sulfonyl]acetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.19 Ų falls within the moderate polarity range, balancing permeability and solubility for [3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl][(3-methylphenyl)sulfonyl]acetonitrile. Following Lipinski's Rule of Five, [3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl][(3-methylphenyl)sulfonyl]acetonitrile 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 [3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl][(3-methylphenyl)sulfonyl]acetonitrile?
The CAS number of [3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl][(3-methylphenyl)sulfonyl]acetonitrile is 847244-99-9.
What is the molecular formula of [3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl][(3-methylphenyl)sulfonyl]acetonitrile?
The molecular formula of [3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl][(3-methylphenyl)sulfonyl]acetonitrile is C28H27N5O2S.
What is the molecular weight of [3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl][(3-methylphenyl)sulfonyl]acetonitrile?
The molecular weight of [3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl][(3-methylphenyl)sulfonyl]acetonitrile is 497.19 g/mol.
Where can I buy [3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl][(3-methylphenyl)sulfonyl]acetonitrile?
You can request a quote for [3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl][(3-methylphenyl)sulfonyl]acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl][(3-methylphenyl)sulfonyl]acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for [3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl][(3-methylphenyl)sulfonyl]acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.