1,3,4-trihydroxyquinoxaline-2-carbonitrile
TL;DR: 1,3,4-trihydroxyquinoxaline-2-carbonitrile (CAS 54259-09-5) is a chemical compound with molecular formula C9H5N3O3 and molecular weight 203.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxy-1-oxido-3-oxoquinoxalin-1-ium-2-carbonitrile
Also Known As: 1,3,4-trihydroxyquinoxaline-2-carbonitrile, 3-hydroxy-2-quinoxalinecarbonitrile 1,4-dioxide, 4-hydroxy-1-oxido-3-oxoquinoxalin-1-ium-2-carbonitrile, 4-hydroxy-1-oxido-3-oxo-quinoxalin-1-ium-2-carbonitrile, 4-Hydroxy-1,3-dioxo-3,4-dihydro-1lambda~5~-quinoxaline-2-carbonitrile
| Molecular Formula | C9H5N3O3 |
|---|---|
| Molecular Weight | 203.03 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 93.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 203.0331 |
| Heavy Atoms | 15 |
| Complexity | 381.0 |
Chemical Identifiers
| CAS Number | 54259-09-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N(C(=O)C(=[N+]2[O-])C#N)O |
| InChIKey | CCMASLOTVARBMX-UHFFFAOYSA-N |
Product Overview
1,3,4-trihydroxyquinoxaline-2-carbonitrile (CAS 54259-09-5), with molecular formula C9H5N3O3 and molecular weight 203.03 g/mol. IUPAC: 4-hydroxy-1-oxido-3-oxoquinoxalin-1-ium-2-carbonitrile.
Chemical Property Profile of 1,3,4-trihydroxyquinoxaline-2-carbonitrile
Property Insights of 1,3,4-trihydroxyquinoxaline-2-carbonitrile
The XLogP value of -0.7 indicates that 1,3,4-trihydroxyquinoxaline-2-carbonitrile is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 93.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3,4-trihydroxyquinoxaline-2-carbonitrile. Following Lipinski's Rule of Five, 1,3,4-trihydroxyquinoxaline-2-carbonitrile has 1 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 1,3,4-trihydroxyquinoxaline-2-carbonitrile?
The CAS number of 1,3,4-trihydroxyquinoxaline-2-carbonitrile is 54259-09-5.
What is the molecular formula of 1,3,4-trihydroxyquinoxaline-2-carbonitrile?
The molecular formula of 1,3,4-trihydroxyquinoxaline-2-carbonitrile is C9H5N3O3.
What is the molecular weight of 1,3,4-trihydroxyquinoxaline-2-carbonitrile?
The molecular weight of 1,3,4-trihydroxyquinoxaline-2-carbonitrile is 203.03 g/mol.
Where can I buy 1,3,4-trihydroxyquinoxaline-2-carbonitrile?
You can request a quote for 1,3,4-trihydroxyquinoxaline-2-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,4-trihydroxyquinoxaline-2-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1,3,4-trihydroxyquinoxaline-2-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.