(3-Chloroquinoxalin-2-yl)(phenylsulfonyl)acetonitrile
TL;DR: (3-Chloroquinoxalin-2-yl)(phenylsulfonyl)acetonitrile (CAS 121809-80-1) is a chemical compound with molecular formula C16H10ClN3O2S and molecular weight 343.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(benzenesulfonyl)-2-(3-chloroquinoxalin-2-yl)acetonitrile
Also Known As: Dipicrylamine, (3-chloroquinoxalin-2-yl)(phenylsulfonyl)acetonitrile, 2-(benzenesulfonyl)-2-(3-chloroquinoxalin-2-yl)acetonitrile, 2-(3-Chloroquinoxalin-2-yl)-2-(phenylsulfonyl)acetonitrile, KST-1A0913
| Molecular Formula | C16H10ClN3O2S |
|---|---|
| Molecular Weight | 343.02 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 92.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 343.01822 |
| Heavy Atoms | 23 |
| Complexity | 562.0 |
Chemical Identifiers
| CAS Number | 121809-80-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)C(C#N)C2=NC3=CC=CC=C3N=C2Cl |
| InChIKey | XDUDZMHWULSAEP-UHFFFAOYSA-N |
Product Overview
(3-Chloroquinoxalin-2-yl)(phenylsulfonyl)acetonitrile (CAS 121809-80-1), with molecular formula C16H10ClN3O2S and molecular weight 343.02 g/mol. IUPAC: 2-(benzenesulfonyl)-2-(3-chloroquinoxalin-2-yl)acetonitrile.
Chemical Property Profile of (3-Chloroquinoxalin-2-yl)(phenylsulfonyl)acetonitrile
Property Insights of (3-Chloroquinoxalin-2-yl)(phenylsulfonyl)acetonitrile
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-Chloroquinoxalin-2-yl)(phenylsulfonyl)acetonitrile. The TPSA of 92.1 Ų falls within the moderate polarity range, balancing permeability and solubility for (3-Chloroquinoxalin-2-yl)(phenylsulfonyl)acetonitrile. Following Lipinski's Rule of Five, (3-Chloroquinoxalin-2-yl)(phenylsulfonyl)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 (3-Chloroquinoxalin-2-yl)(phenylsulfonyl)acetonitrile?
The CAS number of (3-Chloroquinoxalin-2-yl)(phenylsulfonyl)acetonitrile is 121809-80-1.
What is the molecular formula of (3-Chloroquinoxalin-2-yl)(phenylsulfonyl)acetonitrile?
The molecular formula of (3-Chloroquinoxalin-2-yl)(phenylsulfonyl)acetonitrile is C16H10ClN3O2S.
What is the molecular weight of (3-Chloroquinoxalin-2-yl)(phenylsulfonyl)acetonitrile?
The molecular weight of (3-Chloroquinoxalin-2-yl)(phenylsulfonyl)acetonitrile is 343.02 g/mol.
Where can I buy (3-Chloroquinoxalin-2-yl)(phenylsulfonyl)acetonitrile?
You can request a quote for (3-Chloroquinoxalin-2-yl)(phenylsulfonyl)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-Chloroquinoxalin-2-yl)(phenylsulfonyl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for (3-Chloroquinoxalin-2-yl)(phenylsulfonyl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.