Diethyl 2-(3-oxo-3,4-dihydroquinoxalin-2-yl)hexanedioate
TL;DR: Diethyl 2-(3-oxo-3,4-dihydroquinoxalin-2-yl)hexanedioate (CAS 150100-72-4) is a chemical compound with molecular formula C18H22N2O5 and molecular weight 346.15 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)hexanedioate
Also Known As: diethyl 2-(3-oxo-3,4-dihydroquinoxalin-2-yl)hexanedioate, diethyl 2-(3-oxo-4H-quinoxalin-2-yl)hexanedioate, 4,9-dihydropyrazolo[5,6]pyrazolo[1,2-b]pyridazine, 1,6-diethyl 2-(3-oxo-3,4-dihydroquinoxalin-2-yl)hexanedioate, Hexanedioic acid,2-(3,4-dihydro-3-oxo-2-quinoxalinyl)-, 1,6-diethyl ester
| Molecular Formula | C18H22N2O5 |
|---|---|
| Molecular Weight | 346.15 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 94.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 346.15286 |
| Heavy Atoms | 25 |
| Complexity | 532.0 |
Chemical Identifiers
| CAS Number | 150100-72-4 |
|---|---|
| SMILES | CCOC(=O)CCCC(C1=NC2=CC=CC=C2NC1=O)C(=O)OCC |
| InChIKey | QTQDWCWYFOBWEU-UHFFFAOYSA-N |
Product Overview
Diethyl 2-(3-oxo-3,4-dihydroquinoxalin-2-yl)hexanedioate (CAS 150100-72-4), with molecular formula C18H22N2O5 and molecular weight 346.15 g/mol. IUPAC: diethyl 2-(3-oxo-4H-quinoxalin-2-yl)hexanedioate.
Chemical Property Profile of Diethyl 2-(3-oxo-3,4-dihydroquinoxalin-2-yl)hexanedioate
Property Insights of Diethyl 2-(3-oxo-3,4-dihydroquinoxalin-2-yl)hexanedioate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2-(3-oxo-3,4-dihydroquinoxalin-2-yl)hexanedioate. The TPSA of 94.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2-(3-oxo-3,4-dihydroquinoxalin-2-yl)hexanedioate. Following Lipinski's Rule of Five, Diethyl 2-(3-oxo-3,4-dihydroquinoxalin-2-yl)hexanedioate 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-3,4-dihydroquinoxalin-2-yl)hexanedioate?
The CAS number of Diethyl 2-(3-oxo-3,4-dihydroquinoxalin-2-yl)hexanedioate is 150100-72-4.
What is the molecular formula of Diethyl 2-(3-oxo-3,4-dihydroquinoxalin-2-yl)hexanedioate?
The molecular formula of Diethyl 2-(3-oxo-3,4-dihydroquinoxalin-2-yl)hexanedioate is C18H22N2O5.
What is the molecular weight of Diethyl 2-(3-oxo-3,4-dihydroquinoxalin-2-yl)hexanedioate?
The molecular weight of Diethyl 2-(3-oxo-3,4-dihydroquinoxalin-2-yl)hexanedioate is 346.15 g/mol.
Where can I buy Diethyl 2-(3-oxo-3,4-dihydroquinoxalin-2-yl)hexanedioate?
You can request a quote for Diethyl 2-(3-oxo-3,4-dihydroquinoxalin-2-yl)hexanedioate 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-3,4-dihydroquinoxalin-2-yl)hexanedioate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-(3-oxo-3,4-dihydroquinoxalin-2-yl)hexanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.