(3-Chloro-quinoxalin-2-yl)-(toluene-4-sulfonyl)-acetonitrile
TL;DR: (3-Chloro-quinoxalin-2-yl)-(toluene-4-sulfonyl)-acetonitrile (CAS 121512-59-2) is a chemical compound with molecular formula C17H12ClN3O2S and molecular weight 357.03387 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(3-chloroquinoxalin-2-yl)-2-(4-methylphenyl)sulfonylacetonitrile
Also Known As: (3-Chloro-quinoxalin-2-yl)-(toluene-4-sulfonyl)-acetonitrile, 2-(3-Chloroquinoxalin-2-yl)-2-tosylacetonitrile, 2-(3-chloroquinoxalin-2-yl)-2-(4-methylbenzenesulfonyl)acetonitrile, 2-(3-chloroquinoxalin-2-yl)-2-(4-methylphenyl)sulfonylacetonitrile, BB 0218746
Technical Specifications
| Molecular Formula | C17H12ClN3O2S |
| Molecular Weight | 357.03387 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 92.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 357.03387 Da |
| Heavy Atoms | 24 |
| Complexity | 589.0 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)C(C#N)C2=NC3=CC=CC=C3N=C2Cl |
| InChIKey | OKSFNMZZGILCOI-UHFFFAOYSA-N |
Chemical Property Profile of (3-Chloro-quinoxalin-2-yl)-(toluene-4-sulfonyl)-acetonitrile
Property Insights of (3-Chloro-quinoxalin-2-yl)-(toluene-4-sulfonyl)-acetonitrile
The XLogP value of 3.3 indicates that (3-Chloro-quinoxalin-2-yl)-(toluene-4-sulfonyl)-acetonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.1 Ų falls within the moderate polarity range, balancing permeability and solubility for (3-Chloro-quinoxalin-2-yl)-(toluene-4-sulfonyl)-acetonitrile. Following Lipinski's Rule of Five, (3-Chloro-quinoxalin-2-yl)-(toluene-4-sulfonyl)-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
What is the CAS number of (3-Chloro-quinoxalin-2-yl)-(toluene-4-sulfonyl)-acetonitrile?
The CAS number of (3-Chloro-quinoxalin-2-yl)-(toluene-4-sulfonyl)-acetonitrile is 121512-59-2.
What is the molecular formula of (3-Chloro-quinoxalin-2-yl)-(toluene-4-sulfonyl)-acetonitrile?
The molecular formula of (3-Chloro-quinoxalin-2-yl)-(toluene-4-sulfonyl)-acetonitrile is C17H12ClN3O2S.
What is the molecular weight of (3-Chloro-quinoxalin-2-yl)-(toluene-4-sulfonyl)-acetonitrile?
The molecular weight of (3-Chloro-quinoxalin-2-yl)-(toluene-4-sulfonyl)-acetonitrile is 357.03387 g/mol.
Where can I buy (3-Chloro-quinoxalin-2-yl)-(toluene-4-sulfonyl)-acetonitrile?
You can request a quote for (3-Chloro-quinoxalin-2-yl)-(toluene-4-sulfonyl)-acetonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (3-Chloro-quinoxalin-2-yl)-(toluene-4-sulfonyl)-acetonitrile?
Yes, CoreyChem provides custom synthesis services for (3-Chloro-quinoxalin-2-yl)-(toluene-4-sulfonyl)-acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.