diethyl 2-(3-oxo-4H-quinoxalin-2-yl)octanedioate
TL;DR: diethyl 2-(3-oxo-4H-quinoxalin-2-yl)octanedioate (CAS 1501-36-6) is a chemical compound with molecular formula C20H26N2O5 and molecular weight 374.18 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)octanedioate
Also Known As: 2-(3, DIETHYL ESTER, diethyl 2-(3-oxo-4H-quinoxalin-2-yl)octanedioate, Diethyl 2-(3-oxo-3,4-dihydroquinoxalin-2-yl)octanedioate
| Molecular Formula | C20H26N2O5 |
|---|---|
| Molecular Weight | 374.18 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 94.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 374.18417 |
| Heavy Atoms | 27 |
| Complexity | 561.0 |
Chemical Identifiers
| CAS Number | 1501-36-6 |
|---|---|
| SMILES | CCOC(=O)CCCCCC(C1=NC2=CC=CC=C2NC1=O)C(=O)OCC |
| InChIKey | BIFNRMQRSWLVFM-UHFFFAOYSA-N |
Product Overview
diethyl 2-(3-oxo-4H-quinoxalin-2-yl)octanedioate (CAS 1501-36-6), with molecular formula C20H26N2O5 and molecular weight 374.18 g/mol. IUPAC: diethyl 2-(3-oxo-4H-quinoxalin-2-yl)octanedioate.
Chemical Property Profile of diethyl 2-(3-oxo-4H-quinoxalin-2-yl)octanedioate
Property Insights of diethyl 2-(3-oxo-4H-quinoxalin-2-yl)octanedioate
The XLogP value of 3.1 indicates that diethyl 2-(3-oxo-4H-quinoxalin-2-yl)octanedioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. 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)octanedioate. Following Lipinski's Rule of Five, diethyl 2-(3-oxo-4H-quinoxalin-2-yl)octanedioate 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)octanedioate?
The CAS number of diethyl 2-(3-oxo-4H-quinoxalin-2-yl)octanedioate is 1501-36-6.
What is the molecular formula of diethyl 2-(3-oxo-4H-quinoxalin-2-yl)octanedioate?
The molecular formula of diethyl 2-(3-oxo-4H-quinoxalin-2-yl)octanedioate is C20H26N2O5.
What is the molecular weight of diethyl 2-(3-oxo-4H-quinoxalin-2-yl)octanedioate?
The molecular weight of diethyl 2-(3-oxo-4H-quinoxalin-2-yl)octanedioate is 374.18 g/mol.
Where can I buy diethyl 2-(3-oxo-4H-quinoxalin-2-yl)octanedioate?
You can request a quote for diethyl 2-(3-oxo-4H-quinoxalin-2-yl)octanedioate 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)octanedioate?
Yes, KEHONG BIO provides custom synthesis services for diethyl 2-(3-oxo-4H-quinoxalin-2-yl)octanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.