![2-(benzenesulfonyl)-2-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]quinoxalin-2-yl]acetonitrile structure](/static/products/844/844451-03-2.png)
2-(benzenesulfonyl)-2-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]quinoxalin-2-yl]acetonitrile
TL;DR: 2-(benzenesulfonyl)-2-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]quinoxalin-2-yl]acetonitrile (CAS 844451-03-2) 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-(benzenesulfonyl)-2-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]quinoxalin-2-yl]acetonitrile
Also Known As: 2-(benzenesulfonyl)-2-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]quinoxalin-2-yl]acetonitrile, {3-[4-(2,3-dimethylphenyl)piperazin-1-yl]quinoxalin-2-yl}(phenylsulfonyl)acetonitrile, 2-(3-(4-(2,3-dimethylphenyl)piperazin-1-yl)quinoxalin-2-yl)-2-(phenylsulfonyl)acetonitrile
| Molecular Formula | C28H27N5O2S |
|---|---|
| Molecular Weight | 497.19 g/mol |
| LogP | 4.61182 |
| Topological Polar Surface Area | 90.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 497.18854 |
| Heavy Atoms | 36 |
| Complexity | 1556.4279 |
Chemical Identifiers
| CAS Number | 844451-03-2 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)N2CCN(CC2)C3=NC4=CC=CC=C4N=C3C(C#N)S(=O)(=O)C5=CC=CC=C5)C |
Product Overview
2-(benzenesulfonyl)-2-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]quinoxalin-2-yl]acetonitrile (CAS 844451-03-2), with molecular formula C28H27N5O2S and molecular weight 497.19 g/mol. IUPAC: 2-(benzenesulfonyl)-2-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]quinoxalin-2-yl]acetonitrile.
Chemical Property Profile of 2-(benzenesulfonyl)-2-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]quinoxalin-2-yl]acetonitrile
Property Insights of 2-(benzenesulfonyl)-2-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]quinoxalin-2-yl]acetonitrile
The XLogP value of 4.61182 indicates that 2-(benzenesulfonyl)-2-[3-[4-(2,3-dimethylphenyl)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 2-(benzenesulfonyl)-2-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]quinoxalin-2-yl]acetonitrile. Following Lipinski's Rule of Five, 2-(benzenesulfonyl)-2-[3-[4-(2,3-dimethylphenyl)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 2-(benzenesulfonyl)-2-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]quinoxalin-2-yl]acetonitrile?
The CAS number of 2-(benzenesulfonyl)-2-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]quinoxalin-2-yl]acetonitrile is 844451-03-2.
What is the molecular formula of 2-(benzenesulfonyl)-2-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]quinoxalin-2-yl]acetonitrile?
The molecular formula of 2-(benzenesulfonyl)-2-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]quinoxalin-2-yl]acetonitrile is C28H27N5O2S.
What is the molecular weight of 2-(benzenesulfonyl)-2-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]quinoxalin-2-yl]acetonitrile?
The molecular weight of 2-(benzenesulfonyl)-2-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]quinoxalin-2-yl]acetonitrile is 497.19 g/mol.
Where can I buy 2-(benzenesulfonyl)-2-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]quinoxalin-2-yl]acetonitrile?
You can request a quote for 2-(benzenesulfonyl)-2-[3-[4-(2,3-dimethylphenyl)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 2-(benzenesulfonyl)-2-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]quinoxalin-2-yl]acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(benzenesulfonyl)-2-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]quinoxalin-2-yl]acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.