![(3,4-Dimethyl-benzenesulfonyl)-[3-(4-methyl-piperazin-1-yl)-quinoxalin-2-yl]-acetonitrile structure](/static/products/848/848222-66-2.png)
(3,4-Dimethyl-benzenesulfonyl)-[3-(4-methyl-piperazin-1-yl)-quinoxalin-2-yl]-acetonitrile
TL;DR: (3,4-Dimethyl-benzenesulfonyl)-[3-(4-methyl-piperazin-1-yl)-quinoxalin-2-yl]-acetonitrile (CAS 848222-66-2) is a chemical compound with molecular formula C23H25N5O2S and molecular weight 435.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,4-dimethylphenyl)sulfonyl-2-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]acetonitrile
Also Known As: (3,4-Dimethyl-benzenesulfonyl)-[3-(4-methyl-piperazin-1-yl)-quinoxalin-2-yl]-acetonitrile, [(3,4-dimethylphenyl)sulfonyl][3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]acetonitrile, 2-((3,4-dimethylphenyl)sulfonyl)-2-(3-(4-methylpiperazin-1-yl)quinoxalin-2-yl)acetonitrile, 2-(3,4-dimethylphenyl)sulfonyl-2-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]acetonitrile
| Molecular Formula | C23H25N5O2S |
|---|---|
| Molecular Weight | 435.17 g/mol |
| LogP | 3.03702 |
| Topological Polar Surface Area | 90.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 435.17288 |
| Heavy Atoms | 31 |
| Complexity | 1274.8567 |
Chemical Identifiers
| CAS Number | 848222-66-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)S(=O)(=O)C(C#N)C2=NC3=CC=CC=C3N=C2N4CCN(CC4)C)C |
Product Overview
(3,4-Dimethyl-benzenesulfonyl)-[3-(4-methyl-piperazin-1-yl)-quinoxalin-2-yl]-acetonitrile (CAS 848222-66-2), with molecular formula C23H25N5O2S and molecular weight 435.17 g/mol. IUPAC: 2-(3,4-dimethylphenyl)sulfonyl-2-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]acetonitrile.
Chemical Property Profile of (3,4-Dimethyl-benzenesulfonyl)-[3-(4-methyl-piperazin-1-yl)-quinoxalin-2-yl]-acetonitrile
Property Insights of (3,4-Dimethyl-benzenesulfonyl)-[3-(4-methyl-piperazin-1-yl)-quinoxalin-2-yl]-acetonitrile
The XLogP value of 3.03702 indicates that (3,4-Dimethyl-benzenesulfonyl)-[3-(4-methyl-piperazin-1-yl)-quinoxalin-2-yl]-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-Dimethyl-benzenesulfonyl)-[3-(4-methyl-piperazin-1-yl)-quinoxalin-2-yl]-acetonitrile. Following Lipinski's Rule of Five, (3,4-Dimethyl-benzenesulfonyl)-[3-(4-methyl-piperazin-1-yl)-quinoxalin-2-yl]-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-Dimethyl-benzenesulfonyl)-[3-(4-methyl-piperazin-1-yl)-quinoxalin-2-yl]-acetonitrile?
The CAS number of (3,4-Dimethyl-benzenesulfonyl)-[3-(4-methyl-piperazin-1-yl)-quinoxalin-2-yl]-acetonitrile is 848222-66-2.
What is the molecular formula of (3,4-Dimethyl-benzenesulfonyl)-[3-(4-methyl-piperazin-1-yl)-quinoxalin-2-yl]-acetonitrile?
The molecular formula of (3,4-Dimethyl-benzenesulfonyl)-[3-(4-methyl-piperazin-1-yl)-quinoxalin-2-yl]-acetonitrile is C23H25N5O2S.
What is the molecular weight of (3,4-Dimethyl-benzenesulfonyl)-[3-(4-methyl-piperazin-1-yl)-quinoxalin-2-yl]-acetonitrile?
The molecular weight of (3,4-Dimethyl-benzenesulfonyl)-[3-(4-methyl-piperazin-1-yl)-quinoxalin-2-yl]-acetonitrile is 435.17 g/mol.
Where can I buy (3,4-Dimethyl-benzenesulfonyl)-[3-(4-methyl-piperazin-1-yl)-quinoxalin-2-yl]-acetonitrile?
You can request a quote for (3,4-Dimethyl-benzenesulfonyl)-[3-(4-methyl-piperazin-1-yl)-quinoxalin-2-yl]-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-Dimethyl-benzenesulfonyl)-[3-(4-methyl-piperazin-1-yl)-quinoxalin-2-yl]-acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for (3,4-Dimethyl-benzenesulfonyl)-[3-(4-methyl-piperazin-1-yl)-quinoxalin-2-yl]-acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.