Ethyl 6,7-dimethyl-3-oxo-3,4-dihydroquinoxaline-2-carboxylate
TL;DR: Ethyl 6,7-dimethyl-3-oxo-3,4-dihydroquinoxaline-2-carboxylate (CAS 1225-13-4) is a chemical compound with molecular formula C13H14N2O3 and molecular weight 246.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6,7-dimethyl-3-oxo-4H-quinoxaline-2-carboxylate
Also Known As: ethyl 6,7-dimethyl-3-oxo-4H-quinoxaline-2-carboxylate, ethyl 3-hydroxy-6,7-dimethylquinoxaline-2-carboxylate, ethyl 6,7-dimethyl-3-oxo-3,4-dihydroquinoxaline-2-carboxylate, 6,7-Dimethyl-3,4-dihydro-3-oxy-2-quinoxalinecarboxylic acid ethyl ester, ethyl 3-hydroxy-6,7-dimethyl-2-quinoxalinecarboxylate
| Molecular Formula | C13H14N2O3 |
|---|---|
| Molecular Weight | 246.10 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 67.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 246.10045 |
| Heavy Atoms | 18 |
| Complexity | 392.0 |
Chemical Identifiers
| CAS Number | 1225-13-4 |
|---|---|
| SMILES | CCOC(=O)C1=NC2=C(C=C(C(=C2)C)C)NC1=O |
| InChIKey | REXWMOZSJPTQBG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 6,7-dimethyl-3-oxo-3,4-dihydroquinoxaline-2-carboxylate (CAS 1225-13-4), with molecular formula C13H14N2O3 and molecular weight 246.10 g/mol. IUPAC: ethyl 6,7-dimethyl-3-oxo-4H-quinoxaline-2-carboxylate.
Chemical Property Profile of Ethyl 6,7-dimethyl-3-oxo-3,4-dihydroquinoxaline-2-carboxylate
Property Insights of Ethyl 6,7-dimethyl-3-oxo-3,4-dihydroquinoxaline-2-carboxylate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 6,7-dimethyl-3-oxo-3,4-dihydroquinoxaline-2-carboxylate. The TPSA of 67.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 6,7-dimethyl-3-oxo-3,4-dihydroquinoxaline-2-carboxylate. Following Lipinski's Rule of Five, Ethyl 6,7-dimethyl-3-oxo-3,4-dihydroquinoxaline-2-carboxylate 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 Ethyl 6,7-dimethyl-3-oxo-3,4-dihydroquinoxaline-2-carboxylate?
The CAS number of Ethyl 6,7-dimethyl-3-oxo-3,4-dihydroquinoxaline-2-carboxylate is 1225-13-4.
What is the molecular formula of Ethyl 6,7-dimethyl-3-oxo-3,4-dihydroquinoxaline-2-carboxylate?
The molecular formula of Ethyl 6,7-dimethyl-3-oxo-3,4-dihydroquinoxaline-2-carboxylate is C13H14N2O3.
What is the molecular weight of Ethyl 6,7-dimethyl-3-oxo-3,4-dihydroquinoxaline-2-carboxylate?
The molecular weight of Ethyl 6,7-dimethyl-3-oxo-3,4-dihydroquinoxaline-2-carboxylate is 246.10 g/mol.
Where can I buy Ethyl 6,7-dimethyl-3-oxo-3,4-dihydroquinoxaline-2-carboxylate?
You can request a quote for Ethyl 6,7-dimethyl-3-oxo-3,4-dihydroquinoxaline-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 6,7-dimethyl-3-oxo-3,4-dihydroquinoxaline-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 6,7-dimethyl-3-oxo-3,4-dihydroquinoxaline-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.