Ethyl 7-chloro-3-oxo-3,4-dihydroquinoxaline-2-carboxylate
TL;DR: Ethyl 7-chloro-3-oxo-3,4-dihydroquinoxaline-2-carboxylate (CAS 4829-87-2) is a chemical compound with molecular formula C11H9ClN2O3 and molecular weight 252.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 7-chloro-3-oxo-4H-quinoxaline-2-carboxylate
Also Known As: ETHYL 7-CHLORO-3-OXO-3,4-DIHYDROQUINOXALINE-2-CARBOXYLATE, NCI60_029408, ethyl 7-chloro-3-oxo-4H-quinoxaline-2-carboxylate, J1.019.246C, Ethyl 7-chloro-3-hydroxy-2-quinoxalinecarboxylate
| Molecular Formula | C11H9ClN2O3 |
|---|---|
| Molecular Weight | 252.03 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 67.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 252.03017 |
| Heavy Atoms | 17 |
| Complexity | 370.0 |
Chemical Identifiers
| CAS Number | 4829-87-2 |
|---|---|
| SMILES | CCOC(=O)C1=NC2=C(C=CC(=C2)Cl)NC1=O |
| InChIKey | QLQSEGZUZAKTPM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 7-chloro-3-oxo-3,4-dihydroquinoxaline-2-carboxylate (CAS 4829-87-2), with molecular formula C11H9ClN2O3 and molecular weight 252.03 g/mol. IUPAC: ethyl 7-chloro-3-oxo-4H-quinoxaline-2-carboxylate.
Chemical Property Profile of Ethyl 7-chloro-3-oxo-3,4-dihydroquinoxaline-2-carboxylate
Property Insights of Ethyl 7-chloro-3-oxo-3,4-dihydroquinoxaline-2-carboxylate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 7-chloro-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 7-chloro-3-oxo-3,4-dihydroquinoxaline-2-carboxylate. Following Lipinski's Rule of Five, Ethyl 7-chloro-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 7-chloro-3-oxo-3,4-dihydroquinoxaline-2-carboxylate?
The CAS number of Ethyl 7-chloro-3-oxo-3,4-dihydroquinoxaline-2-carboxylate is 4829-87-2.
What is the molecular formula of Ethyl 7-chloro-3-oxo-3,4-dihydroquinoxaline-2-carboxylate?
The molecular formula of Ethyl 7-chloro-3-oxo-3,4-dihydroquinoxaline-2-carboxylate is C11H9ClN2O3.
What is the molecular weight of Ethyl 7-chloro-3-oxo-3,4-dihydroquinoxaline-2-carboxylate?
The molecular weight of Ethyl 7-chloro-3-oxo-3,4-dihydroquinoxaline-2-carboxylate is 252.03 g/mol.
Where can I buy Ethyl 7-chloro-3-oxo-3,4-dihydroquinoxaline-2-carboxylate?
You can request a quote for Ethyl 7-chloro-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 7-chloro-3-oxo-3,4-dihydroquinoxaline-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 7-chloro-3-oxo-3,4-dihydroquinoxaline-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.