2-(3,4-Dimethylphenyl)sulfonyl-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetonitrile
TL;DR: 2-(3,4-Dimethylphenyl)sulfonyl-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetonitrile (CAS 844654-19-9) is a chemical compound with molecular formula C22H22N4O2S and molecular weight 406.15 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-pyrrolidin-1-ylquinoxalin-2-yl)acetonitrile
Also Known As: 2-(3,4-dimethylphenyl)sulfonyl-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetonitrile, 2-((3,4-dimethylphenyl)sulfonyl)-2-(3-(pyrrolidin-1-yl)quinoxalin-2-yl)acetonitrile, 2-(3,4-DIMETHYLBENZENESULFONYL)-2-[3-(PYRROLIDIN-1-YL)QUINOXALIN-2-YL]ACETONITRILE, 2-(3,4-dimethylphenyl)sulfonyl-2-(3-pyrrolidinoquinoxalin-2-yl)acetonitrile, [(3,4-dimethylphenyl)sulfonyl][3-(pyrrolidin-1-yl)quinoxalin-2-yl]acetonitrile
| Molecular Formula | C22H22N4O2S |
|---|---|
| Molecular Weight | 406.15 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 95.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 406.14636 |
| Heavy Atoms | 29 |
| Complexity | 721.0 |
Chemical Identifiers
| CAS Number | 844654-19-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)S(=O)(=O)C(C#N)C2=NC3=CC=CC=C3N=C2N4CCCC4)C |
| InChIKey | HOWVURCHNARHFC-UHFFFAOYSA-N |
Product Overview
2-(3,4-Dimethylphenyl)sulfonyl-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetonitrile (CAS 844654-19-9), with molecular formula C22H22N4O2S and molecular weight 406.15 g/mol. IUPAC: 2-(3,4-dimethylphenyl)sulfonyl-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetonitrile.
Chemical Property Profile of 2-(3,4-Dimethylphenyl)sulfonyl-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetonitrile
Property Insights of 2-(3,4-Dimethylphenyl)sulfonyl-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetonitrile
The XLogP value of 3.6 indicates that 2-(3,4-Dimethylphenyl)sulfonyl-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3,4-Dimethylphenyl)sulfonyl-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetonitrile. Following Lipinski's Rule of Five, 2-(3,4-Dimethylphenyl)sulfonyl-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetonitrile has 0 hydrogen bond donor(s) and 6 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-Dimethylphenyl)sulfonyl-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetonitrile?
The CAS number of 2-(3,4-Dimethylphenyl)sulfonyl-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetonitrile is 844654-19-9.
What is the molecular formula of 2-(3,4-Dimethylphenyl)sulfonyl-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetonitrile?
The molecular formula of 2-(3,4-Dimethylphenyl)sulfonyl-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetonitrile is C22H22N4O2S.
What is the molecular weight of 2-(3,4-Dimethylphenyl)sulfonyl-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetonitrile?
The molecular weight of 2-(3,4-Dimethylphenyl)sulfonyl-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetonitrile is 406.15 g/mol.
Where can I buy 2-(3,4-Dimethylphenyl)sulfonyl-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetonitrile?
You can request a quote for 2-(3,4-Dimethylphenyl)sulfonyl-2-(3-pyrrolidin-1-ylquinoxalin-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 2-(3,4-Dimethylphenyl)sulfonyl-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(3,4-Dimethylphenyl)sulfonyl-2-(3-pyrrolidin-1-ylquinoxalin-2-yl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.