ethyl 7-nitro-3-oxo-4H-quinoxaline-2-carboxylate
TL;DR: ethyl 7-nitro-3-oxo-4H-quinoxaline-2-carboxylate (CAS 78115-65-8) is a chemical compound with molecular formula C11H9N3O5 and molecular weight 263.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 7-nitro-3-oxo-4H-quinoxaline-2-carboxylate
Also Known As: ethyl 7-nitro-3-oxo-4H-quinoxaline-2-carboxylate, J1.019.252H, ethyl 7-nitro-3-oxo-3,4-dihydroquinoxaline-2-carboxylate, 7-nitro-3-oxo-3,4-dihydro-quinoxaline-2-carboxylic acid ethyl ester, 3-Hydroxy-7-nitroquinoxaline-2-carboxylic acid ethyl ester
| Molecular Formula | C11H9N3O5 |
|---|---|
| Molecular Weight | 263.05 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 263.05423 |
| Heavy Atoms | 19 |
| Complexity | 442.0 |
Chemical Identifiers
| CAS Number | 78115-65-8 |
|---|---|
| SMILES | CCOC(=O)C1=NC2=C(C=CC(=C2)[N+](=O)[O-])NC1=O |
| InChIKey | RGAAOKDXIMNYAQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
ethyl 7-nitro-3-oxo-4H-quinoxaline-2-carboxylate (CAS 78115-65-8), with molecular formula C11H9N3O5 and molecular weight 263.05 g/mol. IUPAC: ethyl 7-nitro-3-oxo-4H-quinoxaline-2-carboxylate.
Chemical Property Profile of ethyl 7-nitro-3-oxo-4H-quinoxaline-2-carboxylate
Property Insights of ethyl 7-nitro-3-oxo-4H-quinoxaline-2-carboxylate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 7-nitro-3-oxo-4H-quinoxaline-2-carboxylate. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 7-nitro-3-oxo-4H-quinoxaline-2-carboxylate. Following Lipinski's Rule of Five, ethyl 7-nitro-3-oxo-4H-quinoxaline-2-carboxylate has 1 hydrogen bond donor(s) and 6 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 ethyl 7-nitro-3-oxo-4H-quinoxaline-2-carboxylate?
The CAS number of ethyl 7-nitro-3-oxo-4H-quinoxaline-2-carboxylate is 78115-65-8.
What is the molecular formula of ethyl 7-nitro-3-oxo-4H-quinoxaline-2-carboxylate?
The molecular formula of ethyl 7-nitro-3-oxo-4H-quinoxaline-2-carboxylate is C11H9N3O5.
What is the molecular weight of ethyl 7-nitro-3-oxo-4H-quinoxaline-2-carboxylate?
The molecular weight of ethyl 7-nitro-3-oxo-4H-quinoxaline-2-carboxylate is 263.05 g/mol.
Where can I buy ethyl 7-nitro-3-oxo-4H-quinoxaline-2-carboxylate?
You can request a quote for ethyl 7-nitro-3-oxo-4H-quinoxaline-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 7-nitro-3-oxo-4H-quinoxaline-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 7-nitro-3-oxo-4H-quinoxaline-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.