1-ethoxy-3-(3-nitrophenyl)quinoxalin-2(1H)-one 4-oxide
TL;DR: 1-ethoxy-3-(3-nitrophenyl)quinoxalin-2(1H)-one 4-oxide (CAS 385394-38-7) is a chemical compound with molecular formula C16H13N3O5 and molecular weight 327.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethoxy-3-(3-nitrophenyl)-4-oxidoquinoxalin-4-ium-2-one
Also Known As: 1-Ethoxy-3-(3-nitro-phenyl)-4-oxy-1H-quinoxalin-2-one, 1-ethoxy-3-(3-nitrophenyl)-4-oxidoquinoxalin-4-ium-2-one, 1-ethoxy-3-(3-nitrophenyl)quinoxalin-2(1H)-one 4-oxide, 4-ethoxy-2-(3-nitrophenyl)-3-oxo-3,4-dihydroquinoxaline 1-oxide
| Molecular Formula | C16H13N3O5 |
|---|---|
| Molecular Weight | 327.09 g/mol |
| LogP | 1.6586 |
| Topological Polar Surface Area | 101.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 327.0855 |
| Heavy Atoms | 24 |
| Complexity | 996.6597 |
Chemical Identifiers
| CAS Number | 385394-38-7 |
|---|---|
| SMILES | CCON1C2=CC=CC=C2[N+](=C(C1=O)C3=CC(=CC=C3)[N+](=O)[O-])[O-] |
Product Overview
1-ethoxy-3-(3-nitrophenyl)quinoxalin-2(1H)-one 4-oxide (CAS 385394-38-7), with molecular formula C16H13N3O5 and molecular weight 327.09 g/mol. IUPAC: 1-ethoxy-3-(3-nitrophenyl)-4-oxidoquinoxalin-4-ium-2-one.
Chemical Property Profile of 1-ethoxy-3-(3-nitrophenyl)quinoxalin-2(1H)-one 4-oxide
Property Insights of 1-ethoxy-3-(3-nitrophenyl)quinoxalin-2(1H)-one 4-oxide
The XLogP value of 1.6586 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-ethoxy-3-(3-nitrophenyl)quinoxalin-2(1H)-one 4-oxide. The TPSA of 101.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-ethoxy-3-(3-nitrophenyl)quinoxalin-2(1H)-one 4-oxide. Following Lipinski's Rule of Five, 1-ethoxy-3-(3-nitrophenyl)quinoxalin-2(1H)-one 4-oxide has 0 hydrogen bond donor(s) and 5 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-ethoxy-3-(3-nitrophenyl)quinoxalin-2(1H)-one 4-oxide?
The CAS number of 1-ethoxy-3-(3-nitrophenyl)quinoxalin-2(1H)-one 4-oxide is 385394-38-7.
What is the molecular formula of 1-ethoxy-3-(3-nitrophenyl)quinoxalin-2(1H)-one 4-oxide?
The molecular formula of 1-ethoxy-3-(3-nitrophenyl)quinoxalin-2(1H)-one 4-oxide is C16H13N3O5.
What is the molecular weight of 1-ethoxy-3-(3-nitrophenyl)quinoxalin-2(1H)-one 4-oxide?
The molecular weight of 1-ethoxy-3-(3-nitrophenyl)quinoxalin-2(1H)-one 4-oxide is 327.09 g/mol.
Where can I buy 1-ethoxy-3-(3-nitrophenyl)quinoxalin-2(1H)-one 4-oxide?
You can request a quote for 1-ethoxy-3-(3-nitrophenyl)quinoxalin-2(1H)-one 4-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-ethoxy-3-(3-nitrophenyl)quinoxalin-2(1H)-one 4-oxide?
Yes, KEHONG BIO provides custom synthesis services for 1-ethoxy-3-(3-nitrophenyl)quinoxalin-2(1H)-one 4-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.