![{3-[4-(3-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl}[(4-methylphenyl)sulfonyl]acetonitrile structure](/static/products/797/797796-97-5.png)
{3-[4-(3-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl}[(4-methylphenyl)sulfonyl]acetonitrile
TL;DR: {3-[4-(3-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl}[(4-methylphenyl)sulfonyl]acetonitrile (CAS 797796-97-5) is a chemical compound with molecular formula C27H24ClN5O2S and molecular weight 517.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-[4-(3-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl]-2-(4-methylphenyl)sulfonylacetonitrile
Also Known As: {3-[4-(3-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl}[(4-methylphenyl)sulfonyl]acetonitrile, 2-(3-(4-(3-chlorophenyl)piperazin-1-yl)quinoxalin-2-yl)-2-tosylacetonitrile, 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl]-2-(4-methylphenyl)sulfonylacetonitrile
| Molecular Formula | C27H24ClN5O2S |
|---|---|
| Molecular Weight | 517.13 g/mol |
| LogP | 4.9568 |
| Topological Polar Surface Area | 90.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 517.1339 |
| Heavy Atoms | 36 |
| Complexity | 1559.6519 |
Chemical Identifiers
| CAS Number | 797796-97-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)C(C#N)C2=NC3=CC=CC=C3N=C2N4CCN(CC4)C5=CC(=CC=C5)Cl |
Product Overview
{3-[4-(3-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl}[(4-methylphenyl)sulfonyl]acetonitrile (CAS 797796-97-5), with molecular formula C27H24ClN5O2S and molecular weight 517.13 g/mol. IUPAC: 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl]-2-(4-methylphenyl)sulfonylacetonitrile.
Chemical Property Profile of {3-[4-(3-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl}[(4-methylphenyl)sulfonyl]acetonitrile
Property Insights of {3-[4-(3-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl}[(4-methylphenyl)sulfonyl]acetonitrile
The XLogP value of 4.9568 indicates that {3-[4-(3-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl}[(4-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-(3-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl}[(4-methylphenyl)sulfonyl]acetonitrile. Following Lipinski's Rule of Five, {3-[4-(3-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl}[(4-methylphenyl)sulfonyl]acetonitrile has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of {3-[4-(3-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl}[(4-methylphenyl)sulfonyl]acetonitrile?
The CAS number of {3-[4-(3-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl}[(4-methylphenyl)sulfonyl]acetonitrile is 797796-97-5.
What is the molecular formula of {3-[4-(3-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl}[(4-methylphenyl)sulfonyl]acetonitrile?
The molecular formula of {3-[4-(3-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl}[(4-methylphenyl)sulfonyl]acetonitrile is C27H24ClN5O2S.
What is the molecular weight of {3-[4-(3-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl}[(4-methylphenyl)sulfonyl]acetonitrile?
The molecular weight of {3-[4-(3-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl}[(4-methylphenyl)sulfonyl]acetonitrile is 517.13 g/mol.
Where can I buy {3-[4-(3-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl}[(4-methylphenyl)sulfonyl]acetonitrile?
You can request a quote for {3-[4-(3-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl}[(4-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-(3-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl}[(4-methylphenyl)sulfonyl]acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for {3-[4-(3-chlorophenyl)piperazin-1-yl]quinoxalin-2-yl}[(4-methylphenyl)sulfonyl]acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.