acetonitrile structure](/static/products/848/848686-04-4.png)
[3-(4-Benzylpiperazin-1-yl)quinoxalin-2-yl](thiophen-2-ylsulfonyl)acetonitrile
TL;DR: [3-(4-Benzylpiperazin-1-yl)quinoxalin-2-yl](thiophen-2-ylsulfonyl)acetonitrile (CAS 848686-04-4) is a chemical compound with molecular formula C25H23N5O2S2 and molecular weight 489.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl]-2-thiophen-2-ylsulfonylacetonitrile
Also Known As: [3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl](thiophen-2-ylsulfonyl)acetonitrile|2-(3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl)-2-(thiophen-2-ylsulfonyl)acetonitrile|2-[3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl]-2-thiophen-2-ylsulfonyl-acetonitrile|2-[3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl]-2-thiophen-2-ylsulfonylacetonitrile
| Molecular Formula | C25H23N5O2S2 |
|---|---|
| Molecular Weight | 489.13 g/mol |
| LogP | 4.05208 |
| Topological Polar Surface Area | 90.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 489.1293 |
| Heavy Atoms | 34 |
| Complexity | 1425.4548 |
Chemical Identifiers
| CAS Number | 848686-04-4 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC=CC=C2)C3=NC4=CC=CC=C4N=C3C(C#N)S(=O)(=O)C5=CC=CS5 |
Product Overview
[3-(4-Benzylpiperazin-1-yl)quinoxalin-2-yl](thiophen-2-ylsulfonyl)acetonitrile (CAS 848686-04-4), with molecular formula C25H23N5O2S2 and molecular weight 489.13 g/mol. IUPAC: 2-[3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl]-2-thiophen-2-ylsulfonylacetonitrile.
Chemical Property Profile of [3-(4-Benzylpiperazin-1-yl)quinoxalin-2-yl](thiophen-2-ylsulfonyl)acetonitrile
Property Insights of [3-(4-Benzylpiperazin-1-yl)quinoxalin-2-yl](thiophen-2-ylsulfonyl)acetonitrile
The XLogP value of 4.05208 indicates that [3-(4-Benzylpiperazin-1-yl)quinoxalin-2-yl](thiophen-2-ylsulfonyl)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-Benzylpiperazin-1-yl)quinoxalin-2-yl](thiophen-2-ylsulfonyl)acetonitrile. Following Lipinski's Rule of Five, [3-(4-Benzylpiperazin-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-Benzylpiperazin-1-yl)quinoxalin-2-yl](thiophen-2-ylsulfonyl)acetonitrile?
The CAS number of [3-(4-Benzylpiperazin-1-yl)quinoxalin-2-yl](thiophen-2-ylsulfonyl)acetonitrile is 848686-04-4.
What is the molecular formula of [3-(4-Benzylpiperazin-1-yl)quinoxalin-2-yl](thiophen-2-ylsulfonyl)acetonitrile?
The molecular formula of [3-(4-Benzylpiperazin-1-yl)quinoxalin-2-yl](thiophen-2-ylsulfonyl)acetonitrile is C25H23N5O2S2.
What is the molecular weight of [3-(4-Benzylpiperazin-1-yl)quinoxalin-2-yl](thiophen-2-ylsulfonyl)acetonitrile?
The molecular weight of [3-(4-Benzylpiperazin-1-yl)quinoxalin-2-yl](thiophen-2-ylsulfonyl)acetonitrile is 489.13 g/mol.
Where can I buy [3-(4-Benzylpiperazin-1-yl)quinoxalin-2-yl](thiophen-2-ylsulfonyl)acetonitrile?
You can request a quote for [3-(4-Benzylpiperazin-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-Benzylpiperazin-1-yl)quinoxalin-2-yl](thiophen-2-ylsulfonyl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for [3-(4-Benzylpiperazin-1-yl)quinoxalin-2-yl](thiophen-2-ylsulfonyl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.