diethyl 2-(3-oxo-4H-quinoxalin-2-yl)butanedioate
TL;DR: diethyl 2-(3-oxo-4H-quinoxalin-2-yl)butanedioate (CAS 1501-74-2) is a chemical compound with molecular formula C16H18N2O5 and molecular weight 318.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-(3-oxo-4H-quinoxalin-2-yl)butanedioate
Also Known As: 2-(3, DIETHYL ESTER, diethyl 2-(3-oxo-4H-quinoxalin-2-yl)butanedioate, Diethyl 2-(3-oxo-3,4-dihydroquinoxalin-2-yl)butanedioate, BUTANEDIOIC ACID,2-(3,4-DIHYDRO-3-OXO-2-QUINOXALINYL)-, 1,4-DIETHYL ESTER
| Molecular Formula | C16H18N2O5 |
|---|---|
| Molecular Weight | 318.12 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 94.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 318.12158 |
| Heavy Atoms | 23 |
| Complexity | 503.0 |
Chemical Identifiers
| CAS Number | 1501-74-2 |
|---|---|
| SMILES | CCOC(=O)CC(C1=NC2=CC=CC=C2NC1=O)C(=O)OCC |
| InChIKey | RDYOCMZDJUDWJE-UHFFFAOYSA-N |
Product Overview
diethyl 2-(3-oxo-4H-quinoxalin-2-yl)butanedioate (CAS 1501-74-2), with molecular formula C16H18N2O5 and molecular weight 318.12 g/mol. IUPAC: diethyl 2-(3-oxo-4H-quinoxalin-2-yl)butanedioate.
Chemical Property Profile of diethyl 2-(3-oxo-4H-quinoxalin-2-yl)butanedioate
Property Insights of diethyl 2-(3-oxo-4H-quinoxalin-2-yl)butanedioate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for diethyl 2-(3-oxo-4H-quinoxalin-2-yl)butanedioate. The TPSA of 94.1 Ų falls within the moderate polarity range, balancing permeability and solubility for diethyl 2-(3-oxo-4H-quinoxalin-2-yl)butanedioate. Following Lipinski's Rule of Five, diethyl 2-(3-oxo-4H-quinoxalin-2-yl)butanedioate 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 diethyl 2-(3-oxo-4H-quinoxalin-2-yl)butanedioate?
The CAS number of diethyl 2-(3-oxo-4H-quinoxalin-2-yl)butanedioate is 1501-74-2.
What is the molecular formula of diethyl 2-(3-oxo-4H-quinoxalin-2-yl)butanedioate?
The molecular formula of diethyl 2-(3-oxo-4H-quinoxalin-2-yl)butanedioate is C16H18N2O5.
What is the molecular weight of diethyl 2-(3-oxo-4H-quinoxalin-2-yl)butanedioate?
The molecular weight of diethyl 2-(3-oxo-4H-quinoxalin-2-yl)butanedioate is 318.12 g/mol.
Where can I buy diethyl 2-(3-oxo-4H-quinoxalin-2-yl)butanedioate?
You can request a quote for diethyl 2-(3-oxo-4H-quinoxalin-2-yl)butanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for diethyl 2-(3-oxo-4H-quinoxalin-2-yl)butanedioate?
Yes, KEHONG BIO provides custom synthesis services for diethyl 2-(3-oxo-4H-quinoxalin-2-yl)butanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.