2-Quinoxalinecarbonitrile, 4-oxide
TL;DR: 2-Quinoxalinecarbonitrile, 4-oxide (CAS 53688-02-1) is a chemical compound with molecular formula C9H5N3O and molecular weight 171.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-oxidoquinoxalin-4-ium-2-carbonitrile
Also Known As: 2-Cyanoquinoxaline-4-oxide, 3-Cyanoquinoxaline 1-oxide, 2-Quinoxalinecarbonitrile 4-oxide, 2-Quinoxalinecarbonitrile,4-oxide, 2-Quinoxalinecarbonitrile, 4-oxide
| Molecular Formula | C9H5N3O |
|---|---|
| Molecular Weight | 171.04 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 62.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 171.04326 |
| Heavy Atoms | 13 |
| Complexity | 234.0 |
Chemical Identifiers
| CAS Number | 53688-02-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(C=[N+]2[O-])C#N |
| InChIKey | UJVAWMJYTNHGNU-UHFFFAOYSA-N |
Product Overview
2-Quinoxalinecarbonitrile, 4-oxide (CAS 53688-02-1), with molecular formula C9H5N3O and molecular weight 171.04 g/mol. IUPAC: 4-oxidoquinoxalin-4-ium-2-carbonitrile.
Chemical Property Profile of 2-Quinoxalinecarbonitrile, 4-oxide
Property Insights of 2-Quinoxalinecarbonitrile, 4-oxide
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Quinoxalinecarbonitrile, 4-oxide. The TPSA of 62.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Quinoxalinecarbonitrile, 4-oxide. Following Lipinski's Rule of Five, 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 2-Quinoxalinecarbonitrile, 4-oxide?
The CAS number of 2-Quinoxalinecarbonitrile, 4-oxide is 53688-02-1.
What is the molecular formula of 2-Quinoxalinecarbonitrile, 4-oxide?
The molecular formula of 2-Quinoxalinecarbonitrile, 4-oxide is C9H5N3O.
What is the molecular weight of 2-Quinoxalinecarbonitrile, 4-oxide?
The molecular weight of 2-Quinoxalinecarbonitrile, 4-oxide is 171.04 g/mol.
Where can I buy 2-Quinoxalinecarbonitrile, 4-oxide?
You can request a quote for 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 2-Quinoxalinecarbonitrile, 4-oxide?
Yes, KEHONG BIO provides custom synthesis services for 2-Quinoxalinecarbonitrile, 4-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.