![[(3,4-dimethylphenyl)sulfonyl][3-(4-phenylpiperazin-1-yl)quinoxalin-2-yl]acetonitrile structure](/static/products/847/847177-75-7.png)
[(3,4-dimethylphenyl)sulfonyl][3-(4-phenylpiperazin-1-yl)quinoxalin-2-yl]acetonitrile
TL;DR: [(3,4-dimethylphenyl)sulfonyl][3-(4-phenylpiperazin-1-yl)quinoxalin-2-yl]acetonitrile (CAS 847177-75-7) is a chemical compound with molecular formula C28H27N5O2S and molecular weight 497.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,4-dimethylphenyl)sulfonyl-2-[3-(4-phenylpiperazin-1-yl)quinoxalin-2-yl]acetonitrile
Also Known As: [(3,4-dimethylphenyl)sulfonyl][3-(4-phenylpiperazin-1-yl)quinoxalin-2-yl]acetonitrile|2-((3,4-dimethylphenyl)sulfonyl)-2-(3-(4-phenylpiperazin-1-yl)quinoxalin-2-yl)acetonitrile|2-(3,4-dimethylphenyl)sulfonyl-2-[3-(4-phenylpiperazin-1-yl)quinoxalin-2-yl]acetonitrile
| Molecular Formula | C28H27N5O2S |
|---|---|
| Molecular Weight | 497.19 g/mol |
| LogP | 4.61182 |
| Topological Polar Surface Area | 90.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 497.18854 |
| Heavy Atoms | 36 |
| Complexity | 1556.4279 |
Chemical Identifiers
| CAS Number | 847177-75-7 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)S(=O)(=O)C(C#N)C2=NC3=CC=CC=C3N=C2N4CCN(CC4)C5=CC=CC=C5)C |
Product Overview
[(3,4-dimethylphenyl)sulfonyl][3-(4-phenylpiperazin-1-yl)quinoxalin-2-yl]acetonitrile (CAS 847177-75-7), with molecular formula C28H27N5O2S and molecular weight 497.19 g/mol. IUPAC: 2-(3,4-dimethylphenyl)sulfonyl-2-[3-(4-phenylpiperazin-1-yl)quinoxalin-2-yl]acetonitrile.
Chemical Property Profile of [(3,4-dimethylphenyl)sulfonyl][3-(4-phenylpiperazin-1-yl)quinoxalin-2-yl]acetonitrile
Property Insights of [(3,4-dimethylphenyl)sulfonyl][3-(4-phenylpiperazin-1-yl)quinoxalin-2-yl]acetonitrile
The XLogP value of 4.61182 indicates that [(3,4-dimethylphenyl)sulfonyl][3-(4-phenylpiperazin-1-yl)quinoxalin-2-yl]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-dimethylphenyl)sulfonyl][3-(4-phenylpiperazin-1-yl)quinoxalin-2-yl]acetonitrile. Following Lipinski's Rule of Five, [(3,4-dimethylphenyl)sulfonyl][3-(4-phenylpiperazin-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 [(3,4-dimethylphenyl)sulfonyl][3-(4-phenylpiperazin-1-yl)quinoxalin-2-yl]acetonitrile?
The CAS number of [(3,4-dimethylphenyl)sulfonyl][3-(4-phenylpiperazin-1-yl)quinoxalin-2-yl]acetonitrile is 847177-75-7.
What is the molecular formula of [(3,4-dimethylphenyl)sulfonyl][3-(4-phenylpiperazin-1-yl)quinoxalin-2-yl]acetonitrile?
The molecular formula of [(3,4-dimethylphenyl)sulfonyl][3-(4-phenylpiperazin-1-yl)quinoxalin-2-yl]acetonitrile is C28H27N5O2S.
What is the molecular weight of [(3,4-dimethylphenyl)sulfonyl][3-(4-phenylpiperazin-1-yl)quinoxalin-2-yl]acetonitrile?
The molecular weight of [(3,4-dimethylphenyl)sulfonyl][3-(4-phenylpiperazin-1-yl)quinoxalin-2-yl]acetonitrile is 497.19 g/mol.
Where can I buy [(3,4-dimethylphenyl)sulfonyl][3-(4-phenylpiperazin-1-yl)quinoxalin-2-yl]acetonitrile?
You can request a quote for [(3,4-dimethylphenyl)sulfonyl][3-(4-phenylpiperazin-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 [(3,4-dimethylphenyl)sulfonyl][3-(4-phenylpiperazin-1-yl)quinoxalin-2-yl]acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for [(3,4-dimethylphenyl)sulfonyl][3-(4-phenylpiperazin-1-yl)quinoxalin-2-yl]acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.