2-(3-Chloroquinoxalin-2-yl)-2-(3,4-dimethylbenzenesulfonyl)acetonitrile
TL;DR: 2-(3-Chloroquinoxalin-2-yl)-2-(3,4-dimethylbenzenesulfonyl)acetonitrile (CAS 730981-89-2) is a chemical compound with molecular formula C18H14ClN3O2S and molecular weight 371.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-chloroquinoxalin-2-yl)-2-(3,4-dimethylphenyl)sulfonylacetonitrile
Also Known As: 2-(3-chloroquinoxalin-2-yl)-2-(3,4-dimethylbenzenesulfonyl)acetonitrile, (3-Chloro-quinoxalin-2-yl)-(3,4-dimethyl-benzenesulfonyl)-acetonitrile, 2-(3-chloroquinoxalin-2-yl)-2-(3,4-dimethylphenyl)sulfonylacetonitrile, 2-(3-Chloroquinoxalin-2-yl)-2-((3,4-dimethylphenyl)sulfonyl)acetonitrile, 2-(3-chloroquinoxalin-2-yl)-2-[(3,4-dimethylbenzene)sulfonyl]acetonitrile
| Molecular Formula | C18H14ClN3O2S |
|---|---|
| Molecular Weight | 371.05 g/mol |
| LogP | 3.93862 |
| Topological Polar Surface Area | 83.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 371.04953 |
| Heavy Atoms | 25 |
| Complexity | 1120.8596 |
Chemical Identifiers
| CAS Number | 730981-89-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)S(=O)(=O)C(C#N)C2=NC3=CC=CC=C3N=C2Cl)C |
Product Overview
2-(3-Chloroquinoxalin-2-yl)-2-(3,4-dimethylbenzenesulfonyl)acetonitrile (CAS 730981-89-2), with molecular formula C18H14ClN3O2S and molecular weight 371.05 g/mol. IUPAC: 2-(3-chloroquinoxalin-2-yl)-2-(3,4-dimethylphenyl)sulfonylacetonitrile.
Chemical Property Profile of 2-(3-Chloroquinoxalin-2-yl)-2-(3,4-dimethylbenzenesulfonyl)acetonitrile
Property Insights of 2-(3-Chloroquinoxalin-2-yl)-2-(3,4-dimethylbenzenesulfonyl)acetonitrile
The XLogP value of 3.93862 indicates that 2-(3-Chloroquinoxalin-2-yl)-2-(3,4-dimethylbenzenesulfonyl)acetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-Chloroquinoxalin-2-yl)-2-(3,4-dimethylbenzenesulfonyl)acetonitrile. Following Lipinski's Rule of Five, 2-(3-Chloroquinoxalin-2-yl)-2-(3,4-dimethylbenzenesulfonyl)acetonitrile has 0 hydrogen bond donor(s) and 5 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-Chloroquinoxalin-2-yl)-2-(3,4-dimethylbenzenesulfonyl)acetonitrile?
The CAS number of 2-(3-Chloroquinoxalin-2-yl)-2-(3,4-dimethylbenzenesulfonyl)acetonitrile is 730981-89-2.
What is the molecular formula of 2-(3-Chloroquinoxalin-2-yl)-2-(3,4-dimethylbenzenesulfonyl)acetonitrile?
The molecular formula of 2-(3-Chloroquinoxalin-2-yl)-2-(3,4-dimethylbenzenesulfonyl)acetonitrile is C18H14ClN3O2S.
What is the molecular weight of 2-(3-Chloroquinoxalin-2-yl)-2-(3,4-dimethylbenzenesulfonyl)acetonitrile?
The molecular weight of 2-(3-Chloroquinoxalin-2-yl)-2-(3,4-dimethylbenzenesulfonyl)acetonitrile is 371.05 g/mol.
Where can I buy 2-(3-Chloroquinoxalin-2-yl)-2-(3,4-dimethylbenzenesulfonyl)acetonitrile?
You can request a quote for 2-(3-Chloroquinoxalin-2-yl)-2-(3,4-dimethylbenzenesulfonyl)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-Chloroquinoxalin-2-yl)-2-(3,4-dimethylbenzenesulfonyl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Chloroquinoxalin-2-yl)-2-(3,4-dimethylbenzenesulfonyl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.