2-Quinoxalinecarbonitrile,3,4-dihydro-3-oxo-, 1-oxide
TL;DR: 2-Quinoxalinecarbonitrile,3,4-dihydro-3-oxo-, 1-oxide (CAS 31055-87-5) 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-3-oxo-4H-quinoxalin-1-ium-2-carbonitrile
Also Known As: 3, 1-OXIDE, 1-oxido-3-oxo-4H-quinoxaline-2-carbonitrile, 2-Quinoxalinecarbonitrile,3,4-dihydro-3-oxo-, 1-oxide, 1-oxido-3-oxo-4H-quinoxalin-1-ium-2-carbonitrile, 1,2-dihydro-2-oxoquinoxaline-3-carbonitrile-4-oxide
| Molecular Formula | C9H5N3O2 |
|---|---|
| Molecular Weight | 187.04 g/mol |
| LogP | 0.03318 |
| Topological Polar Surface Area | 83.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 187.03818 |
| Heavy Atoms | 14 |
| Complexity | 595.00903 |
Chemical Identifiers
| CAS Number | 31055-87-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(=O)C(=[N+]2[O-])C#N |
Product Overview
2-Quinoxalinecarbonitrile,3,4-dihydro-3-oxo-, 1-oxide (CAS 31055-87-5), with molecular formula C9H5N3O2 and molecular weight 187.04 g/mol. IUPAC: 1-oxido-3-oxo-4H-quinoxalin-1-ium-2-carbonitrile.
Chemical Property Profile of 2-Quinoxalinecarbonitrile,3,4-dihydro-3-oxo-, 1-oxide
Property Insights of 2-Quinoxalinecarbonitrile,3,4-dihydro-3-oxo-, 1-oxide
The XLogP value of 0.03318 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Quinoxalinecarbonitrile,3,4-dihydro-3-oxo-, 1-oxide. The TPSA of 83.59 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Quinoxalinecarbonitrile,3,4-dihydro-3-oxo-, 1-oxide. Following Lipinski's Rule of Five, 2-Quinoxalinecarbonitrile,3,4-dihydro-3-oxo-, 1-oxide has 1 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,3,4-dihydro-3-oxo-, 1-oxide?
The CAS number of 2-Quinoxalinecarbonitrile,3,4-dihydro-3-oxo-, 1-oxide is 31055-87-5.
What is the molecular formula of 2-Quinoxalinecarbonitrile,3,4-dihydro-3-oxo-, 1-oxide?
The molecular formula of 2-Quinoxalinecarbonitrile,3,4-dihydro-3-oxo-, 1-oxide is C9H5N3O2.
What is the molecular weight of 2-Quinoxalinecarbonitrile,3,4-dihydro-3-oxo-, 1-oxide?
The molecular weight of 2-Quinoxalinecarbonitrile,3,4-dihydro-3-oxo-, 1-oxide is 187.04 g/mol.
Where can I buy 2-Quinoxalinecarbonitrile,3,4-dihydro-3-oxo-, 1-oxide?
You can request a quote for 2-Quinoxalinecarbonitrile,3,4-dihydro-3-oxo-, 1-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,3,4-dihydro-3-oxo-, 1-oxide?
Yes, KEHONG BIO provides custom synthesis services for 2-Quinoxalinecarbonitrile,3,4-dihydro-3-oxo-, 1-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.