3-Phenyl-2-quinoxalinecarbonitrile 4-oxide
TL;DR: 3-Phenyl-2-quinoxalinecarbonitrile 4-oxide (CAS 18457-82-4) is a chemical compound with molecular formula C15H9N3O and molecular weight 247.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-oxido-3-phenylquinoxalin-4-ium-2-carbonitrile
Also Known As: 3-Phenyl-2-quinoxalinecarbonitrile 4-oxide, 4-oxido-3-phenylquinoxalin-4-ium-2-carbonitrile, 3-cyano-2-phenylquinoxalin-1-ium-1-olate, 2-Quinoxalinecarbonitrile, 3-phenyl-, 4-oxide
| Molecular Formula | C15H9N3O |
|---|---|
| Molecular Weight | 247.07 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 62.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 247.07455 |
| Heavy Atoms | 19 |
| Complexity | 358.0 |
Chemical Identifiers
| CAS Number | 18457-82-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=[N+](C3=CC=CC=C3N=C2C#N)[O-] |
| InChIKey | HAONBQSJAWDCNZ-UHFFFAOYSA-N |
Product Overview
3-Phenyl-2-quinoxalinecarbonitrile 4-oxide (CAS 18457-82-4), with molecular formula C15H9N3O and molecular weight 247.07 g/mol. IUPAC: 4-oxido-3-phenylquinoxalin-4-ium-2-carbonitrile.
Chemical Property Profile of 3-Phenyl-2-quinoxalinecarbonitrile 4-oxide
Property Insights of 3-Phenyl-2-quinoxalinecarbonitrile 4-oxide
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Phenyl-2-quinoxalinecarbonitrile 4-oxide. The TPSA of 62.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Phenyl-2-quinoxalinecarbonitrile 4-oxide. Following Lipinski's Rule of Five, 3-Phenyl-2-quinoxalinecarbonitrile 4-oxide has 0 hydrogen bond donor(s) and 3 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-Phenyl-2-quinoxalinecarbonitrile 4-oxide?
The CAS number of 3-Phenyl-2-quinoxalinecarbonitrile 4-oxide is 18457-82-4.
What is the molecular formula of 3-Phenyl-2-quinoxalinecarbonitrile 4-oxide?
The molecular formula of 3-Phenyl-2-quinoxalinecarbonitrile 4-oxide is C15H9N3O.
What is the molecular weight of 3-Phenyl-2-quinoxalinecarbonitrile 4-oxide?
The molecular weight of 3-Phenyl-2-quinoxalinecarbonitrile 4-oxide is 247.07 g/mol.
Where can I buy 3-Phenyl-2-quinoxalinecarbonitrile 4-oxide?
You can request a quote for 3-Phenyl-2-quinoxalinecarbonitrile 4-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Phenyl-2-quinoxalinecarbonitrile 4-oxide?
Yes, KEHONG BIO provides custom synthesis services for 3-Phenyl-2-quinoxalinecarbonitrile 4-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.