(4-Chloro-benzenesulfonyl)-(3-chloro-quinoxalin-2-yl)-acetonitrile
TL;DR: (4-Chloro-benzenesulfonyl)-(3-chloro-quinoxalin-2-yl)-acetonitrile (CAS 121512-60-5) is a chemical compound with molecular formula C16H9Cl2N3O2S and molecular weight 376.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenyl)sulfonyl-2-(3-chloroquinoxalin-2-yl)acetonitrile
Also Known As: 2-(4-CHLOROBENZENESULFONYL)-2-(3-CHLOROQUINOXALIN-2-YL)ACETONITRILE, 2-((4-Chlorophenyl)sulfonyl)-2-(3-chloroquinoxalin-2-yl)acetonitrile, (4-Chloro-benzenesulfonyl)-(3-chloro-quinoxalin-2-yl)-acetonitrile, 2-(4-chlorophenyl)sulfonyl-2-(3-chloroquinoxalin-2-yl)acetonitrile, (4-Chlorobenzene-1-sulfonyl)(3-chloroquinoxalin-2-yl)acetonitrile
| Molecular Formula | C16H9Cl2N3O2S |
|---|---|
| Molecular Weight | 376.98 g/mol |
| LogP | 3.97518 |
| Topological Polar Surface Area | 83.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 376.97925 |
| Heavy Atoms | 24 |
| Complexity | 1060.8678 |
Chemical Identifiers
| CAS Number | 121512-60-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(C(=N2)Cl)C(C#N)S(=O)(=O)C3=CC=C(C=C3)Cl |
Product Overview
(4-Chloro-benzenesulfonyl)-(3-chloro-quinoxalin-2-yl)-acetonitrile (CAS 121512-60-5), with molecular formula C16H9Cl2N3O2S and molecular weight 376.98 g/mol. IUPAC: 2-(4-chlorophenyl)sulfonyl-2-(3-chloroquinoxalin-2-yl)acetonitrile.
Chemical Property Profile of (4-Chloro-benzenesulfonyl)-(3-chloro-quinoxalin-2-yl)-acetonitrile
Property Insights of (4-Chloro-benzenesulfonyl)-(3-chloro-quinoxalin-2-yl)-acetonitrile
The XLogP value of 3.97518 indicates that (4-Chloro-benzenesulfonyl)-(3-chloro-quinoxalin-2-yl)-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 (4-Chloro-benzenesulfonyl)-(3-chloro-quinoxalin-2-yl)-acetonitrile. Following Lipinski's Rule of Five, (4-Chloro-benzenesulfonyl)-(3-chloro-quinoxalin-2-yl)-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 (4-Chloro-benzenesulfonyl)-(3-chloro-quinoxalin-2-yl)-acetonitrile?
The CAS number of (4-Chloro-benzenesulfonyl)-(3-chloro-quinoxalin-2-yl)-acetonitrile is 121512-60-5.
What is the molecular formula of (4-Chloro-benzenesulfonyl)-(3-chloro-quinoxalin-2-yl)-acetonitrile?
The molecular formula of (4-Chloro-benzenesulfonyl)-(3-chloro-quinoxalin-2-yl)-acetonitrile is C16H9Cl2N3O2S.
What is the molecular weight of (4-Chloro-benzenesulfonyl)-(3-chloro-quinoxalin-2-yl)-acetonitrile?
The molecular weight of (4-Chloro-benzenesulfonyl)-(3-chloro-quinoxalin-2-yl)-acetonitrile is 376.98 g/mol.
Where can I buy (4-Chloro-benzenesulfonyl)-(3-chloro-quinoxalin-2-yl)-acetonitrile?
You can request a quote for (4-Chloro-benzenesulfonyl)-(3-chloro-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 (4-Chloro-benzenesulfonyl)-(3-chloro-quinoxalin-2-yl)-acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for (4-Chloro-benzenesulfonyl)-(3-chloro-quinoxalin-2-yl)-acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.