2-(3-(4-methylpiperazin-1-yl)quinoxalin-2-yl)-2-tosylacetonitrile
TL;DR: 2-(3-(4-methylpiperazin-1-yl)quinoxalin-2-yl)-2-tosylacetonitrile (CAS 797768-36-6) is a chemical compound with molecular formula C22H23N5O2S and molecular weight 421.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methylphenyl)sulfonyl-2-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]acetonitrile
Also Known As: 2-(3-(4-methylpiperazin-1-yl)quinoxalin-2-yl)-2-tosylacetonitrile, [(4-methylphenyl)sulfonyl][3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]acetonitrile, [3-(4-Methyl-piperazin-1-yl)-quinoxalin-2-yl]-(toluene-4-sulfonyl)-acetonitrile, 2-(4-methylphenyl)sulfonyl-2-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]acetonitrile
| Molecular Formula | C22H23N5O2S |
|---|---|
| Molecular Weight | 421.16 g/mol |
| LogP | 2.7286 |
| Topological Polar Surface Area | 90.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 421.15726 |
| Heavy Atoms | 30 |
| Complexity | 1210.5016 |
Chemical Identifiers
| CAS Number | 797768-36-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)C(C#N)C2=NC3=CC=CC=C3N=C2N4CCN(CC4)C |
Product Overview
2-(3-(4-methylpiperazin-1-yl)quinoxalin-2-yl)-2-tosylacetonitrile (CAS 797768-36-6), with molecular formula C22H23N5O2S and molecular weight 421.16 g/mol. IUPAC: 2-(4-methylphenyl)sulfonyl-2-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]acetonitrile.
Chemical Property Profile of 2-(3-(4-methylpiperazin-1-yl)quinoxalin-2-yl)-2-tosylacetonitrile
Property Insights of 2-(3-(4-methylpiperazin-1-yl)quinoxalin-2-yl)-2-tosylacetonitrile
The XLogP value of 2.7286 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-(4-methylpiperazin-1-yl)quinoxalin-2-yl)-2-tosylacetonitrile. The TPSA of 90.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-(4-methylpiperazin-1-yl)quinoxalin-2-yl)-2-tosylacetonitrile. Following Lipinski's Rule of Five, 2-(3-(4-methylpiperazin-1-yl)quinoxalin-2-yl)-2-tosylacetonitrile 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-(3-(4-methylpiperazin-1-yl)quinoxalin-2-yl)-2-tosylacetonitrile?
The CAS number of 2-(3-(4-methylpiperazin-1-yl)quinoxalin-2-yl)-2-tosylacetonitrile is 797768-36-6.
What is the molecular formula of 2-(3-(4-methylpiperazin-1-yl)quinoxalin-2-yl)-2-tosylacetonitrile?
The molecular formula of 2-(3-(4-methylpiperazin-1-yl)quinoxalin-2-yl)-2-tosylacetonitrile is C22H23N5O2S.
What is the molecular weight of 2-(3-(4-methylpiperazin-1-yl)quinoxalin-2-yl)-2-tosylacetonitrile?
The molecular weight of 2-(3-(4-methylpiperazin-1-yl)quinoxalin-2-yl)-2-tosylacetonitrile is 421.16 g/mol.
Where can I buy 2-(3-(4-methylpiperazin-1-yl)quinoxalin-2-yl)-2-tosylacetonitrile?
You can request a quote for 2-(3-(4-methylpiperazin-1-yl)quinoxalin-2-yl)-2-tosylacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-(4-methylpiperazin-1-yl)quinoxalin-2-yl)-2-tosylacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-(4-methylpiperazin-1-yl)quinoxalin-2-yl)-2-tosylacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.