2-(3-Chloropyrazin-2-yl)-2-tosylacetonitrile
TL;DR: 2-(3-Chloropyrazin-2-yl)-2-tosylacetonitrile (CAS 126891-43-8) is a chemical compound with molecular formula C13H10ClN3O2S and molecular weight 307.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-chloropyrazin-2-yl)-2-(4-methylphenyl)sulfonylacetonitrile
Also Known As: 2-(3-Chloropyrazin-2-yl)-2-tosylacetonitrile, (3-chloropyrazin-2-yl)[(4-methylphenyl)sulfonyl]acetonitrile, 2-(3-chloropyrazin-2-yl)-2-(4-methylphenyl)sulfonylacetonitrile
| Molecular Formula | C13H10ClN3O2S |
|---|---|
| Molecular Weight | 307.02 g/mol |
| LogP | 2.477 |
| Topological Polar Surface Area | 83.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 307.01822 |
| Heavy Atoms | 20 |
| Complexity | 766.9484 |
Chemical Identifiers
| CAS Number | 126891-43-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)C(C#N)C2=NC=CN=C2Cl |
Product Overview
2-(3-Chloropyrazin-2-yl)-2-tosylacetonitrile (CAS 126891-43-8), with molecular formula C13H10ClN3O2S and molecular weight 307.02 g/mol. IUPAC: 2-(3-chloropyrazin-2-yl)-2-(4-methylphenyl)sulfonylacetonitrile.
Chemical Property Profile of 2-(3-Chloropyrazin-2-yl)-2-tosylacetonitrile
Property Insights of 2-(3-Chloropyrazin-2-yl)-2-tosylacetonitrile
The XLogP value of 2.477 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-Chloropyrazin-2-yl)-2-tosylacetonitrile. The TPSA of 83.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-Chloropyrazin-2-yl)-2-tosylacetonitrile. Following Lipinski's Rule of Five, 2-(3-Chloropyrazin-2-yl)-2-tosylacetonitrile 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-Chloropyrazin-2-yl)-2-tosylacetonitrile?
The CAS number of 2-(3-Chloropyrazin-2-yl)-2-tosylacetonitrile is 126891-43-8.
What is the molecular formula of 2-(3-Chloropyrazin-2-yl)-2-tosylacetonitrile?
The molecular formula of 2-(3-Chloropyrazin-2-yl)-2-tosylacetonitrile is C13H10ClN3O2S.
What is the molecular weight of 2-(3-Chloropyrazin-2-yl)-2-tosylacetonitrile?
The molecular weight of 2-(3-Chloropyrazin-2-yl)-2-tosylacetonitrile is 307.02 g/mol.
Where can I buy 2-(3-Chloropyrazin-2-yl)-2-tosylacetonitrile?
You can request a quote for 2-(3-Chloropyrazin-2-yl)-2-tosylacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-Chloropyrazin-2-yl)-2-tosylacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Chloropyrazin-2-yl)-2-tosylacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.