2-((4-fluorophenyl)sulfonyl)-2-(3-(4-methylpiperazin-1-yl)quinoxalin-2-yl)acetonitrile
TL;DR: 2-((4-fluorophenyl)sulfonyl)-2-(3-(4-methylpiperazin-1-yl)quinoxalin-2-yl)acetonitrile (CAS 846589-73-9) is a chemical compound with molecular formula C21H20FN5O2S and molecular weight 425.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-fluorophenyl)sulfonyl-2-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]acetonitrile
Also Known As: 2-((4-fluorophenyl)sulfonyl)-2-(3-(4-methylpiperazin-1-yl)quinoxalin-2-yl)acetonitrile, F3225-4889, 2-(4-FLUOROBENZENESULFONYL)-2-[3-(4-METHYLPIPERAZIN-1-YL)QUINOXALIN-2-YL]ACETONITRILE, 2-(4-fluorophenyl)sulfonyl-2-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]acetonitrile, [(4-fluorophenyl)sulfonyl][3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]acetonitrile
| Molecular Formula | C21H20FN5O2S |
|---|---|
| Molecular Weight | 425.13 g/mol |
| LogP | 2.55928 |
| Topological Polar Surface Area | 90.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 425.13217 |
| Heavy Atoms | 30 |
| Complexity | 1216.3705 |
Chemical Identifiers
| CAS Number | 846589-73-9 |
|---|---|
| SMILES | CN1CCN(CC1)C2=NC3=CC=CC=C3N=C2C(C#N)S(=O)(=O)C4=CC=C(C=C4)F |
Product Overview
2-((4-fluorophenyl)sulfonyl)-2-(3-(4-methylpiperazin-1-yl)quinoxalin-2-yl)acetonitrile (CAS 846589-73-9), with molecular formula C21H20FN5O2S and molecular weight 425.13 g/mol. IUPAC: 2-(4-fluorophenyl)sulfonyl-2-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]acetonitrile.
Chemical Property Profile of 2-((4-fluorophenyl)sulfonyl)-2-(3-(4-methylpiperazin-1-yl)quinoxalin-2-yl)acetonitrile
Property Insights of 2-((4-fluorophenyl)sulfonyl)-2-(3-(4-methylpiperazin-1-yl)quinoxalin-2-yl)acetonitrile
The XLogP value of 2.55928 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((4-fluorophenyl)sulfonyl)-2-(3-(4-methylpiperazin-1-yl)quinoxalin-2-yl)acetonitrile. The TPSA of 90.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4-fluorophenyl)sulfonyl)-2-(3-(4-methylpiperazin-1-yl)quinoxalin-2-yl)acetonitrile. Following Lipinski's Rule of Five, 2-((4-fluorophenyl)sulfonyl)-2-(3-(4-methylpiperazin-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-((4-fluorophenyl)sulfonyl)-2-(3-(4-methylpiperazin-1-yl)quinoxalin-2-yl)acetonitrile?
The CAS number of 2-((4-fluorophenyl)sulfonyl)-2-(3-(4-methylpiperazin-1-yl)quinoxalin-2-yl)acetonitrile is 846589-73-9.
What is the molecular formula of 2-((4-fluorophenyl)sulfonyl)-2-(3-(4-methylpiperazin-1-yl)quinoxalin-2-yl)acetonitrile?
The molecular formula of 2-((4-fluorophenyl)sulfonyl)-2-(3-(4-methylpiperazin-1-yl)quinoxalin-2-yl)acetonitrile is C21H20FN5O2S.
What is the molecular weight of 2-((4-fluorophenyl)sulfonyl)-2-(3-(4-methylpiperazin-1-yl)quinoxalin-2-yl)acetonitrile?
The molecular weight of 2-((4-fluorophenyl)sulfonyl)-2-(3-(4-methylpiperazin-1-yl)quinoxalin-2-yl)acetonitrile is 425.13 g/mol.
Where can I buy 2-((4-fluorophenyl)sulfonyl)-2-(3-(4-methylpiperazin-1-yl)quinoxalin-2-yl)acetonitrile?
You can request a quote for 2-((4-fluorophenyl)sulfonyl)-2-(3-(4-methylpiperazin-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-((4-fluorophenyl)sulfonyl)-2-(3-(4-methylpiperazin-1-yl)quinoxalin-2-yl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-fluorophenyl)sulfonyl)-2-(3-(4-methylpiperazin-1-yl)quinoxalin-2-yl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.