Diethyl 1,4,5,6,7,8-hexahydro-7,7-dimethyl-5-oxo-3,4-quinolinedicarboxylate
TL;DR: Diethyl 1,4,5,6,7,8-hexahydro-7,7-dimethyl-5-oxo-3,4-quinolinedicarboxylate (CAS 131929-08-3) is a chemical compound with molecular formula C17H23NO5 and molecular weight 321.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3,4-dicarboxylate
Also Known As: Diethyl 1,4,5,6,7,8-hexahydro-7,7-dimethyl-5-oxo-3,4-quinolinedicarboxylate, 3,4-Quinolinedicarboxylic acid, 1,4,5,6,7,8-hexahydro-7,7-dimethyl-5-oxo-, diethyl ester, diethyl 7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3,4-dicarboxylate, Diethyl 7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,4-dicarboxylate, 3,4-QUINOLINEDICARBOXYLIC ACID,1,4,5,6,7,8-HEXAHYDRO-7,7-DIMETHYL-5-OXO-,DIETHYL ESTER
| Molecular Formula | C17H23NO5 |
|---|---|
| Molecular Weight | 321.16 g/mol |
| LogP | 1.8591 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 321.15762 |
| Heavy Atoms | 23 |
| Complexity | 600.105 |
Chemical Identifiers
| CAS Number | 131929-08-3 |
|---|---|
| SMILES | CCOC(=O)C1C(=CNC2=C1C(=O)CC(C2)(C)C)C(=O)OCC |
Product Overview
Diethyl 1,4,5,6,7,8-hexahydro-7,7-dimethyl-5-oxo-3,4-quinolinedicarboxylate (CAS 131929-08-3), with molecular formula C17H23NO5 and molecular weight 321.16 g/mol. IUPAC: diethyl 7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3,4-dicarboxylate.
Chemical Property Profile of Diethyl 1,4,5,6,7,8-hexahydro-7,7-dimethyl-5-oxo-3,4-quinolinedicarboxylate
Property Insights of Diethyl 1,4,5,6,7,8-hexahydro-7,7-dimethyl-5-oxo-3,4-quinolinedicarboxylate
The XLogP value of 1.8591 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 1,4,5,6,7,8-hexahydro-7,7-dimethyl-5-oxo-3,4-quinolinedicarboxylate. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 1,4,5,6,7,8-hexahydro-7,7-dimethyl-5-oxo-3,4-quinolinedicarboxylate. Following Lipinski's Rule of Five, Diethyl 1,4,5,6,7,8-hexahydro-7,7-dimethyl-5-oxo-3,4-quinolinedicarboxylate 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 1,4,5,6,7,8-hexahydro-7,7-dimethyl-5-oxo-3,4-quinolinedicarboxylate?
The CAS number of Diethyl 1,4,5,6,7,8-hexahydro-7,7-dimethyl-5-oxo-3,4-quinolinedicarboxylate is 131929-08-3.
What is the molecular formula of Diethyl 1,4,5,6,7,8-hexahydro-7,7-dimethyl-5-oxo-3,4-quinolinedicarboxylate?
The molecular formula of Diethyl 1,4,5,6,7,8-hexahydro-7,7-dimethyl-5-oxo-3,4-quinolinedicarboxylate is C17H23NO5.
What is the molecular weight of Diethyl 1,4,5,6,7,8-hexahydro-7,7-dimethyl-5-oxo-3,4-quinolinedicarboxylate?
The molecular weight of Diethyl 1,4,5,6,7,8-hexahydro-7,7-dimethyl-5-oxo-3,4-quinolinedicarboxylate is 321.16 g/mol.
Where can I buy Diethyl 1,4,5,6,7,8-hexahydro-7,7-dimethyl-5-oxo-3,4-quinolinedicarboxylate?
You can request a quote for Diethyl 1,4,5,6,7,8-hexahydro-7,7-dimethyl-5-oxo-3,4-quinolinedicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 1,4,5,6,7,8-hexahydro-7,7-dimethyl-5-oxo-3,4-quinolinedicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 1,4,5,6,7,8-hexahydro-7,7-dimethyl-5-oxo-3,4-quinolinedicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.