acetonitrile structure](/static/products/840/840510-59-0.png)
[3-(4-Benzylpiperazin-1-yl)quinoxalin-2-yl](phenylsulfonyl)acetonitrile
TL;DR: [3-(4-Benzylpiperazin-1-yl)quinoxalin-2-yl](phenylsulfonyl)acetonitrile (CAS 840510-59-0) is a chemical compound with molecular formula C27H25N5O2S and molecular weight 483.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(benzenesulfonyl)-2-[3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl]acetonitrile
Also Known As: 2-(benzenesulfonyl)-2-[3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl]acetonitrile, [3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl](phenylsulfonyl)acetonitrile, 2-(3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl)-2-(phenylsulfonyl)acetonitrile
| Molecular Formula | C27H25N5O2S |
|---|---|
| Molecular Weight | 483.17 g/mol |
| LogP | 3.99058 |
| Topological Polar Surface Area | 90.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 483.17288 |
| Heavy Atoms | 35 |
| Complexity | 1462.2361 |
Chemical Identifiers
| CAS Number | 840510-59-0 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC=CC=C2)C3=NC4=CC=CC=C4N=C3C(C#N)S(=O)(=O)C5=CC=CC=C5 |
Product Overview
[3-(4-Benzylpiperazin-1-yl)quinoxalin-2-yl](phenylsulfonyl)acetonitrile (CAS 840510-59-0), with molecular formula C27H25N5O2S and molecular weight 483.17 g/mol. IUPAC: 2-(benzenesulfonyl)-2-[3-(4-benzylpiperazin-1-yl)quinoxalin-2-yl]acetonitrile.
Chemical Property Profile of [3-(4-Benzylpiperazin-1-yl)quinoxalin-2-yl](phenylsulfonyl)acetonitrile
Property Insights of [3-(4-Benzylpiperazin-1-yl)quinoxalin-2-yl](phenylsulfonyl)acetonitrile
The XLogP value of 3.99058 indicates that [3-(4-Benzylpiperazin-1-yl)quinoxalin-2-yl](phenylsulfonyl)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](phenylsulfonyl)acetonitrile. Following Lipinski's Rule of Five, [3-(4-Benzylpiperazin-1-yl)quinoxalin-2-yl](phenylsulfonyl)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 [3-(4-Benzylpiperazin-1-yl)quinoxalin-2-yl](phenylsulfonyl)acetonitrile?
The CAS number of [3-(4-Benzylpiperazin-1-yl)quinoxalin-2-yl](phenylsulfonyl)acetonitrile is 840510-59-0.
What is the molecular formula of [3-(4-Benzylpiperazin-1-yl)quinoxalin-2-yl](phenylsulfonyl)acetonitrile?
The molecular formula of [3-(4-Benzylpiperazin-1-yl)quinoxalin-2-yl](phenylsulfonyl)acetonitrile is C27H25N5O2S.
What is the molecular weight of [3-(4-Benzylpiperazin-1-yl)quinoxalin-2-yl](phenylsulfonyl)acetonitrile?
The molecular weight of [3-(4-Benzylpiperazin-1-yl)quinoxalin-2-yl](phenylsulfonyl)acetonitrile is 483.17 g/mol.
Where can I buy [3-(4-Benzylpiperazin-1-yl)quinoxalin-2-yl](phenylsulfonyl)acetonitrile?
You can request a quote for [3-(4-Benzylpiperazin-1-yl)quinoxalin-2-yl](phenylsulfonyl)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](phenylsulfonyl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for [3-(4-Benzylpiperazin-1-yl)quinoxalin-2-yl](phenylsulfonyl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.