2,3-Dioxo-1,2,3,4-tetrahydroquinoxaline-6-carbonitrile
TL;DR: 2,3-Dioxo-1,2,3,4-tetrahydroquinoxaline-6-carbonitrile (CAS 61875-40-9) 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.
2,3-dioxo-1,4-dihydroquinoxaline-6-carbonitrile
Also Known As: 6-CYANOQUINOXALINE-2,3-DIONE, 2,3-DIOXO-1,2,3,4-TETRAHYDROQUINOXALINE-6-CARBONITRILE, 6-Cyano-2,3-dihydroxyquinoxaline, 2,3-dioxo-1,4-dihydroquinoxaline-6-carbonitrile, 2,3-dihydroxyquinoxaline-6-carbonitrile
| Molecular Formula | C9H5N3O2 |
|---|---|
| Molecular Weight | 187.04 g/mol |
| LogP | 0.08808 |
| Topological Polar Surface Area | 89.51 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 187.03818 |
| Heavy Atoms | 14 |
| Complexity | 645.38025 |
Chemical Identifiers
| CAS Number | 61875-40-9 |
|---|---|
| SMILES | C1=CC2=C(C=C1C#N)NC(=O)C(=O)N2 |
Product Overview
2,3-Dioxo-1,2,3,4-tetrahydroquinoxaline-6-carbonitrile (CAS 61875-40-9), with molecular formula C9H5N3O2 and molecular weight 187.04 g/mol. IUPAC: 2,3-dioxo-1,4-dihydroquinoxaline-6-carbonitrile.
Chemical Property Profile of 2,3-Dioxo-1,2,3,4-tetrahydroquinoxaline-6-carbonitrile
Property Insights of 2,3-Dioxo-1,2,3,4-tetrahydroquinoxaline-6-carbonitrile
The XLogP value of 0.08808 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Dioxo-1,2,3,4-tetrahydroquinoxaline-6-carbonitrile. The TPSA of 89.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3-Dioxo-1,2,3,4-tetrahydroquinoxaline-6-carbonitrile. Following Lipinski's Rule of Five, 2,3-Dioxo-1,2,3,4-tetrahydroquinoxaline-6-carbonitrile has 2 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 2,3-Dioxo-1,2,3,4-tetrahydroquinoxaline-6-carbonitrile?
The CAS number of 2,3-Dioxo-1,2,3,4-tetrahydroquinoxaline-6-carbonitrile is 61875-40-9.
What is the molecular formula of 2,3-Dioxo-1,2,3,4-tetrahydroquinoxaline-6-carbonitrile?
The molecular formula of 2,3-Dioxo-1,2,3,4-tetrahydroquinoxaline-6-carbonitrile is C9H5N3O2.
What is the molecular weight of 2,3-Dioxo-1,2,3,4-tetrahydroquinoxaline-6-carbonitrile?
The molecular weight of 2,3-Dioxo-1,2,3,4-tetrahydroquinoxaline-6-carbonitrile is 187.04 g/mol.
Where can I buy 2,3-Dioxo-1,2,3,4-tetrahydroquinoxaline-6-carbonitrile?
You can request a quote for 2,3-Dioxo-1,2,3,4-tetrahydroquinoxaline-6-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Dioxo-1,2,3,4-tetrahydroquinoxaline-6-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Dioxo-1,2,3,4-tetrahydroquinoxaline-6-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.