Diethyl 4-oxo-1,4-dihydroquinoline-3,7-dicarboxylate
TL;DR: Diethyl 4-oxo-1,4-dihydroquinoline-3,7-dicarboxylate (CAS 302953-10-2) is a chemical compound with molecular formula C15H15NO5 and molecular weight 289.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 4-oxo-1H-quinoline-3,7-dicarboxylate
Also Known As: Diethyl 4-hydroxyquinoline-3,7-dicarboxylate, diethyl 4-oxo-1,4-dihydroquinoline-3,7-dicarboxylate, BB 0237853, diethyl 4-oxo-1H-quinoline-3,7-dicarboxylate, 3,7-Diethyl 4-hydroxy-3,7-quinolinedicarboxylate
| Molecular Formula | C15H15NO5 |
|---|---|
| Molecular Weight | 289.10 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 289.09503 |
| Heavy Atoms | 21 |
| Complexity | 471.0 |
Chemical Identifiers
| CAS Number | 302953-10-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC2=C(C=C1)C(=O)C(=CN2)C(=O)OCC |
| InChIKey | ITHPPFOLFJCUPX-UHFFFAOYSA-N |
Product Overview
Diethyl 4-oxo-1,4-dihydroquinoline-3,7-dicarboxylate (CAS 302953-10-2), with molecular formula C15H15NO5 and molecular weight 289.10 g/mol. IUPAC: diethyl 4-oxo-1H-quinoline-3,7-dicarboxylate.
Chemical Property Profile of Diethyl 4-oxo-1,4-dihydroquinoline-3,7-dicarboxylate
Property Insights of Diethyl 4-oxo-1,4-dihydroquinoline-3,7-dicarboxylate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 4-oxo-1,4-dihydroquinoline-3,7-dicarboxylate. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 4-oxo-1,4-dihydroquinoline-3,7-dicarboxylate. Following Lipinski's Rule of Five, Diethyl 4-oxo-1,4-dihydroquinoline-3,7-dicarboxylate 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 4-oxo-1,4-dihydroquinoline-3,7-dicarboxylate?
The CAS number of Diethyl 4-oxo-1,4-dihydroquinoline-3,7-dicarboxylate is 302953-10-2.
What is the molecular formula of Diethyl 4-oxo-1,4-dihydroquinoline-3,7-dicarboxylate?
The molecular formula of Diethyl 4-oxo-1,4-dihydroquinoline-3,7-dicarboxylate is C15H15NO5.
What is the molecular weight of Diethyl 4-oxo-1,4-dihydroquinoline-3,7-dicarboxylate?
The molecular weight of Diethyl 4-oxo-1,4-dihydroquinoline-3,7-dicarboxylate is 289.10 g/mol.
Where can I buy Diethyl 4-oxo-1,4-dihydroquinoline-3,7-dicarboxylate?
You can request a quote for Diethyl 4-oxo-1,4-dihydroquinoline-3,7-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 4-oxo-1,4-dihydroquinoline-3,7-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 4-oxo-1,4-dihydroquinoline-3,7-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.