3-Amino-2-quinoxalinecarbonitrile, 1-oxide
TL;DR: 3-Amino-2-quinoxalinecarbonitrile, 1-oxide (CAS 500889-07-6) is a chemical compound with molecular formula C9H6N4O and molecular weight 186.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-1-oxidoquinoxalin-1-ium-2-carbonitrile
Also Known As: 3-Amino-2-quinoxalinecarbonitrile 1-oxide, 3-amino-1-oxido-quinoxaline-2-carbonitrile, 3-amino-1-oxidoquinoxalin-1-ium-2-carbonitrile, 3-AMINOQUINOXALINE-2-CARBONITRILE 1-OXIDE, 3-AMINO-2-QUINOXALINECARBONITRILE, 1-OXIDE
| Molecular Formula | C9H6N4O |
|---|---|
| Molecular Weight | 186.05 g/mol |
| LogP | 0.32208 |
| Topological Polar Surface Area | 89.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 186.05415 |
| Heavy Atoms | 14 |
| Complexity | 544.23865 |
Chemical Identifiers
| CAS Number | 500889-07-6 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(C(=[N+]2[O-])C#N)N |
Product Overview
3-Amino-2-quinoxalinecarbonitrile, 1-oxide (CAS 500889-07-6), with molecular formula C9H6N4O and molecular weight 186.05 g/mol. IUPAC: 3-amino-1-oxidoquinoxalin-1-ium-2-carbonitrile.
Chemical Property Profile of 3-Amino-2-quinoxalinecarbonitrile, 1-oxide
Property Insights of 3-Amino-2-quinoxalinecarbonitrile, 1-oxide
The XLogP value of 0.32208 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Amino-2-quinoxalinecarbonitrile, 1-oxide. The TPSA of 89.64 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Amino-2-quinoxalinecarbonitrile, 1-oxide. Following Lipinski's Rule of Five, 3-Amino-2-quinoxalinecarbonitrile, 1-oxide 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 3-Amino-2-quinoxalinecarbonitrile, 1-oxide?
The CAS number of 3-Amino-2-quinoxalinecarbonitrile, 1-oxide is 500889-07-6.
What is the molecular formula of 3-Amino-2-quinoxalinecarbonitrile, 1-oxide?
The molecular formula of 3-Amino-2-quinoxalinecarbonitrile, 1-oxide is C9H6N4O.
What is the molecular weight of 3-Amino-2-quinoxalinecarbonitrile, 1-oxide?
The molecular weight of 3-Amino-2-quinoxalinecarbonitrile, 1-oxide is 186.05 g/mol.
Where can I buy 3-Amino-2-quinoxalinecarbonitrile, 1-oxide?
You can request a quote for 3-Amino-2-quinoxalinecarbonitrile, 1-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Amino-2-quinoxalinecarbonitrile, 1-oxide?
Yes, KEHONG BIO provides custom synthesis services for 3-Amino-2-quinoxalinecarbonitrile, 1-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.