2-Quinoxalinecarbonitrile, 1,4-dioxide
TL;DR: 2-Quinoxalinecarbonitrile, 1,4-dioxide (CAS 79082-05-6) is a chemical compound with molecular formula C9H5N3O2 and molecular weight 187.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-oxido-4-oxoquinoxalin-4-ium-2-carbonitrile
Also Known As: 2-quinoxalinecarbonitrile, 1,4-dioxide, 2-Cyanoquinoxaline1, 4-dioxide, 2-Cyanoquinoxaline 1,4-dioxide, 1,4-Dioxy-quinoxaline-2-carbonitrile, 2-quinoxalinecarbonitrile 1,4-dioxide
| Molecular Formula | C9H5N3O2 |
|---|---|
| Molecular Weight | 187.04 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 70.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 187.03818 |
| Heavy Atoms | 14 |
| Complexity | 341.0 |
Chemical Identifiers
| CAS Number | 79082-05-6 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N(C(=C[N+]2=O)C#N)[O-] |
| InChIKey | BJVCGEWLQTXZLH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Quinoxalinecarbonitrile, 1,4-dioxide (CAS 79082-05-6), with molecular formula C9H5N3O2 and molecular weight 187.04 g/mol. IUPAC: 1-oxido-4-oxoquinoxalin-4-ium-2-carbonitrile.
Chemical Property Profile of 2-Quinoxalinecarbonitrile, 1,4-dioxide
Property Insights of 2-Quinoxalinecarbonitrile, 1,4-dioxide
The XLogP value of -0.1 indicates that 2-Quinoxalinecarbonitrile, 1,4-dioxide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 70.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Quinoxalinecarbonitrile, 1,4-dioxide. Following Lipinski's Rule of Five, 2-Quinoxalinecarbonitrile, 1,4-dioxide 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 2-Quinoxalinecarbonitrile, 1,4-dioxide?
The CAS number of 2-Quinoxalinecarbonitrile, 1,4-dioxide is 79082-05-6.
What is the molecular formula of 2-Quinoxalinecarbonitrile, 1,4-dioxide?
The molecular formula of 2-Quinoxalinecarbonitrile, 1,4-dioxide is C9H5N3O2.
What is the molecular weight of 2-Quinoxalinecarbonitrile, 1,4-dioxide?
The molecular weight of 2-Quinoxalinecarbonitrile, 1,4-dioxide is 187.04 g/mol.
Where can I buy 2-Quinoxalinecarbonitrile, 1,4-dioxide?
You can request a quote for 2-Quinoxalinecarbonitrile, 1,4-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Quinoxalinecarbonitrile, 1,4-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 2-Quinoxalinecarbonitrile, 1,4-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.