2-(3-(4-Methylpiperazin-1-yl)quinoxalin-2-yl)-2-(phenylsulfonyl)acetonitrile
TL;DR: 2-(3-(4-Methylpiperazin-1-yl)quinoxalin-2-yl)-2-(phenylsulfonyl)acetonitrile (CAS 573932-75-9) is a chemical compound with molecular formula C21H21N5O2S and molecular weight 407.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(benzenesulfonyl)-2-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]acetonitrile
Also Known As: 2-(3-(4-methylpiperazin-1-yl)quinoxalin-2-yl)-2-(phenylsulfonyl)acetonitrile, AB00657479-05, 2-(benzenesulfonyl)-2-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]acetonitrile, F3225-4908, [3-(4-methylpiperazin-1-yl)quinoxalin-2-yl](phenylsulfonyl)acetonitrile
| Molecular Formula | C21H21N5O2S |
|---|---|
| Molecular Weight | 407.14 g/mol |
| LogP | 2.42018 |
| Topological Polar Surface Area | 90.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 407.1416 |
| Heavy Atoms | 29 |
| Complexity | 1166.6458 |
Chemical Identifiers
| CAS Number | 573932-75-9 |
|---|---|
| SMILES | CN1CCN(CC1)C2=NC3=CC=CC=C3N=C2C(C#N)S(=O)(=O)C4=CC=CC=C4 |
Product Overview
2-(3-(4-Methylpiperazin-1-yl)quinoxalin-2-yl)-2-(phenylsulfonyl)acetonitrile (CAS 573932-75-9), with molecular formula C21H21N5O2S and molecular weight 407.14 g/mol. IUPAC: 2-(benzenesulfonyl)-2-[3-(4-methylpiperazin-1-yl)quinoxalin-2-yl]acetonitrile.
Chemical Property Profile of 2-(3-(4-Methylpiperazin-1-yl)quinoxalin-2-yl)-2-(phenylsulfonyl)acetonitrile
Property Insights of 2-(3-(4-Methylpiperazin-1-yl)quinoxalin-2-yl)-2-(phenylsulfonyl)acetonitrile
The XLogP value of 2.42018 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-(4-Methylpiperazin-1-yl)quinoxalin-2-yl)-2-(phenylsulfonyl)acetonitrile. 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-(phenylsulfonyl)acetonitrile. Following Lipinski's Rule of Five, 2-(3-(4-Methylpiperazin-1-yl)quinoxalin-2-yl)-2-(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 2-(3-(4-Methylpiperazin-1-yl)quinoxalin-2-yl)-2-(phenylsulfonyl)acetonitrile?
The CAS number of 2-(3-(4-Methylpiperazin-1-yl)quinoxalin-2-yl)-2-(phenylsulfonyl)acetonitrile is 573932-75-9.
What is the molecular formula of 2-(3-(4-Methylpiperazin-1-yl)quinoxalin-2-yl)-2-(phenylsulfonyl)acetonitrile?
The molecular formula of 2-(3-(4-Methylpiperazin-1-yl)quinoxalin-2-yl)-2-(phenylsulfonyl)acetonitrile is C21H21N5O2S.
What is the molecular weight of 2-(3-(4-Methylpiperazin-1-yl)quinoxalin-2-yl)-2-(phenylsulfonyl)acetonitrile?
The molecular weight of 2-(3-(4-Methylpiperazin-1-yl)quinoxalin-2-yl)-2-(phenylsulfonyl)acetonitrile is 407.14 g/mol.
Where can I buy 2-(3-(4-Methylpiperazin-1-yl)quinoxalin-2-yl)-2-(phenylsulfonyl)acetonitrile?
You can request a quote for 2-(3-(4-Methylpiperazin-1-yl)quinoxalin-2-yl)-2-(phenylsulfonyl)acetonitrile 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-(phenylsulfonyl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-(4-Methylpiperazin-1-yl)quinoxalin-2-yl)-2-(phenylsulfonyl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.