3-Cyano-alpha-phenyl-2-quinoxalineacetonitrile
TL;DR: 3-Cyano-alpha-phenyl-2-quinoxalineacetonitrile (CAS 17481-43-5) is a chemical compound with molecular formula C17H10N4 and molecular weight 270.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[cyano(phenyl)methyl]quinoxaline-2-carbonitrile
Also Known As: (3-Cyano-2-quinoxalinyl)phenylethanenitrile, 3-[cyano(phenyl)methyl]quinoxaline-2-carbonitrile, (3-Cyanoquinoxaline-2-yl)phenylacetonitrile, J1.410.154C, 3-(alpha-Cyanobenzyl)-2-quinoxalinecarbonitrile
| Molecular Formula | C17H10N4 |
|---|---|
| Molecular Weight | 270.09 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 73.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 270.09055 |
| Heavy Atoms | 21 |
| Complexity | 450.0 |
Chemical Identifiers
| CAS Number | 17481-43-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C#N)C2=NC3=CC=CC=C3N=C2C#N |
| InChIKey | MSEUWZQLVOEESI-UHFFFAOYSA-N |
Product Overview
3-Cyano-alpha-phenyl-2-quinoxalineacetonitrile (CAS 17481-43-5), with molecular formula C17H10N4 and molecular weight 270.09 g/mol. IUPAC: 3-[cyano(phenyl)methyl]quinoxaline-2-carbonitrile.
Chemical Property Profile of 3-Cyano-alpha-phenyl-2-quinoxalineacetonitrile
Property Insights of 3-Cyano-alpha-phenyl-2-quinoxalineacetonitrile
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Cyano-alpha-phenyl-2-quinoxalineacetonitrile. The TPSA of 73.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Cyano-alpha-phenyl-2-quinoxalineacetonitrile. Following Lipinski's Rule of Five, 3-Cyano-alpha-phenyl-2-quinoxalineacetonitrile has 0 hydrogen bond donor(s) and 4 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-Cyano-alpha-phenyl-2-quinoxalineacetonitrile?
The CAS number of 3-Cyano-alpha-phenyl-2-quinoxalineacetonitrile is 17481-43-5.
What is the molecular formula of 3-Cyano-alpha-phenyl-2-quinoxalineacetonitrile?
The molecular formula of 3-Cyano-alpha-phenyl-2-quinoxalineacetonitrile is C17H10N4.
What is the molecular weight of 3-Cyano-alpha-phenyl-2-quinoxalineacetonitrile?
The molecular weight of 3-Cyano-alpha-phenyl-2-quinoxalineacetonitrile is 270.09 g/mol.
Where can I buy 3-Cyano-alpha-phenyl-2-quinoxalineacetonitrile?
You can request a quote for 3-Cyano-alpha-phenyl-2-quinoxalineacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Cyano-alpha-phenyl-2-quinoxalineacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Cyano-alpha-phenyl-2-quinoxalineacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.