acetonitrile structure](/static/products/845/845653-37-4.png)
[3-(4-Methylpiperazin-1-yl)quinoxalin-2-yl](thiophen-2-ylsulfonyl)acetonitrile
TL;DR: [3-(4-Methylpiperazin-1-yl)quinoxalin-2-yl](thiophen-2-ylsulfonyl)acetonitrile (CAS 845653-37-4) is a chemical compound with molecular formula C19H19N5O2S2 and molecular weight 413.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]-2-thiophen-2-ylsulfonylacetonitrile
Also Known As: [3-(4-methylpiperazin-1-yl)quinoxalin-2-yl](thiophen-2-ylsulfonyl)acetonitrile|2-(3-(4-methylpiperazin-1-yl)quinoxalin-2-yl)-2-(thiophen-2-ylsulfonyl)acetonitrile|2-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]-2-thiophen-2-ylsulfonyl-acetonitrile|2-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]-2-thiophen-2-ylsulfonylacetonitrile
| Molecular Formula | C19H19N5O2S2 |
|---|---|
| Molecular Weight | 413.10 g/mol |
| LogP | 2.48168 |
| Topological Polar Surface Area | 90.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 413.09802 |
| Heavy Atoms | 28 |
| Complexity | 1130.8405 |
Chemical Identifiers
| CAS Number | 845653-37-4 |
|---|---|
| SMILES | CN1CCN(CC1)C2=NC3=CC=CC=C3N=C2C(C#N)S(=O)(=O)C4=CC=CS4 |
Product Overview
[3-(4-Methylpiperazin-1-yl)quinoxalin-2-yl](thiophen-2-ylsulfonyl)acetonitrile (CAS 845653-37-4), with molecular formula C19H19N5O2S2 and molecular weight 413.10 g/mol. IUPAC: 2-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]-2-thiophen-2-ylsulfonylacetonitrile.
Chemical Property Profile of [3-(4-Methylpiperazin-1-yl)quinoxalin-2-yl](thiophen-2-ylsulfonyl)acetonitrile
Property Insights of [3-(4-Methylpiperazin-1-yl)quinoxalin-2-yl](thiophen-2-ylsulfonyl)acetonitrile
The XLogP value of 2.48168 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [3-(4-Methylpiperazin-1-yl)quinoxalin-2-yl](thiophen-2-ylsulfonyl)acetonitrile. The TPSA of 90.19 Ų falls within the moderate polarity range, balancing permeability and solubility for [3-(4-Methylpiperazin-1-yl)quinoxalin-2-yl](thiophen-2-ylsulfonyl)acetonitrile. Following Lipinski's Rule of Five, [3-(4-Methylpiperazin-1-yl)quinoxalin-2-yl](thiophen-2-ylsulfonyl)acetonitrile has 0 hydrogen bond donor(s) and 8 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-Methylpiperazin-1-yl)quinoxalin-2-yl](thiophen-2-ylsulfonyl)acetonitrile?
The CAS number of [3-(4-Methylpiperazin-1-yl)quinoxalin-2-yl](thiophen-2-ylsulfonyl)acetonitrile is 845653-37-4.
What is the molecular formula of [3-(4-Methylpiperazin-1-yl)quinoxalin-2-yl](thiophen-2-ylsulfonyl)acetonitrile?
The molecular formula of [3-(4-Methylpiperazin-1-yl)quinoxalin-2-yl](thiophen-2-ylsulfonyl)acetonitrile is C19H19N5O2S2.
What is the molecular weight of [3-(4-Methylpiperazin-1-yl)quinoxalin-2-yl](thiophen-2-ylsulfonyl)acetonitrile?
The molecular weight of [3-(4-Methylpiperazin-1-yl)quinoxalin-2-yl](thiophen-2-ylsulfonyl)acetonitrile is 413.10 g/mol.
Where can I buy [3-(4-Methylpiperazin-1-yl)quinoxalin-2-yl](thiophen-2-ylsulfonyl)acetonitrile?
You can request a quote for [3-(4-Methylpiperazin-1-yl)quinoxalin-2-yl](thiophen-2-ylsulfonyl)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-Methylpiperazin-1-yl)quinoxalin-2-yl](thiophen-2-ylsulfonyl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for [3-(4-Methylpiperazin-1-yl)quinoxalin-2-yl](thiophen-2-ylsulfonyl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.