ethyl 5-(7,7-dimethyl-5-oxo-1,2,3,4,6,8-hexahydroquinolin-3-yl)-3,3-dimethyl-5-oxopentanoate
TL;DR: ethyl 5-(7,7-dimethyl-5-oxo-1,2,3,4,6,8-hexahydroquinolin-3-yl)-3,3-dimethyl-5-oxopentanoate (CAS 33365-95-6) is a chemical compound with molecular formula C20H31NO4 and molecular weight 349.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-(7,7-dimethyl-5-oxo-1,2,3,4,6,8-hexahydroquinolin-3-yl)-3,3-dimethyl-5-oxopentanoate
Also Known As: ethyl 5-(7,7-dimethyl-5-oxo-1,2,3,4,6,8-hexahydroquinolin-3-yl)-3,3-dimethyl-5-oxopentanoate, ethyl 5-(7,7-dimethyl-5-oxo-1,2,3,4,6,8-hexahydroquinolin-3-, Ethyl 5-(7,7-dimethyl-5-oxo-1,2,3,4,5,6,7,8-octahydroquinolin-3-yl)-3,3-dimethyl-5-oxopentanoate
| Molecular Formula | C20H31NO4 |
|---|---|
| Molecular Weight | 349.23 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 72.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 349.2253 |
| Heavy Atoms | 25 |
| Complexity | 601.0 |
Chemical Identifiers
| CAS Number | 33365-95-6 |
|---|---|
| SMILES | CCOC(=O)CC(C)(C)CC(=O)C1CC2=C(CC(CC2=O)(C)C)NC1 |
| InChIKey | NWVCRPOTSIGRAJ-UHFFFAOYSA-N |
Product Overview
ethyl 5-(7,7-dimethyl-5-oxo-1,2,3,4,6,8-hexahydroquinolin-3-yl)-3,3-dimethyl-5-oxopentanoate (CAS 33365-95-6), with molecular formula C20H31NO4 and molecular weight 349.23 g/mol. IUPAC: ethyl 5-(7,7-dimethyl-5-oxo-1,2,3,4,6,8-hexahydroquinolin-3-yl)-3,3-dimethyl-5-oxopentanoate.
Chemical Property Profile of ethyl 5-(7,7-dimethyl-5-oxo-1,2,3,4,6,8-hexahydroquinolin-3-yl)-3,3-dimethyl-5-oxopentanoate
Property Insights of ethyl 5-(7,7-dimethyl-5-oxo-1,2,3,4,6,8-hexahydroquinolin-3-yl)-3,3-dimethyl-5-oxopentanoate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 5-(7,7-dimethyl-5-oxo-1,2,3,4,6,8-hexahydroquinolin-3-yl)-3,3-dimethyl-5-oxopentanoate. The TPSA of 72.5 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 5-(7,7-dimethyl-5-oxo-1,2,3,4,6,8-hexahydroquinolin-3-yl)-3,3-dimethyl-5-oxopentanoate. Following Lipinski's Rule of Five, ethyl 5-(7,7-dimethyl-5-oxo-1,2,3,4,6,8-hexahydroquinolin-3-yl)-3,3-dimethyl-5-oxopentanoate has 1 hydrogen bond donor(s) and 5 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 ethyl 5-(7,7-dimethyl-5-oxo-1,2,3,4,6,8-hexahydroquinolin-3-yl)-3,3-dimethyl-5-oxopentanoate?
The CAS number of ethyl 5-(7,7-dimethyl-5-oxo-1,2,3,4,6,8-hexahydroquinolin-3-yl)-3,3-dimethyl-5-oxopentanoate is 33365-95-6.
What is the molecular formula of ethyl 5-(7,7-dimethyl-5-oxo-1,2,3,4,6,8-hexahydroquinolin-3-yl)-3,3-dimethyl-5-oxopentanoate?
The molecular formula of ethyl 5-(7,7-dimethyl-5-oxo-1,2,3,4,6,8-hexahydroquinolin-3-yl)-3,3-dimethyl-5-oxopentanoate is C20H31NO4.
What is the molecular weight of ethyl 5-(7,7-dimethyl-5-oxo-1,2,3,4,6,8-hexahydroquinolin-3-yl)-3,3-dimethyl-5-oxopentanoate?
The molecular weight of ethyl 5-(7,7-dimethyl-5-oxo-1,2,3,4,6,8-hexahydroquinolin-3-yl)-3,3-dimethyl-5-oxopentanoate is 349.23 g/mol.
Where can I buy ethyl 5-(7,7-dimethyl-5-oxo-1,2,3,4,6,8-hexahydroquinolin-3-yl)-3,3-dimethyl-5-oxopentanoate?
You can request a quote for ethyl 5-(7,7-dimethyl-5-oxo-1,2,3,4,6,8-hexahydroquinolin-3-yl)-3,3-dimethyl-5-oxopentanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 5-(7,7-dimethyl-5-oxo-1,2,3,4,6,8-hexahydroquinolin-3-yl)-3,3-dimethyl-5-oxopentanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 5-(7,7-dimethyl-5-oxo-1,2,3,4,6,8-hexahydroquinolin-3-yl)-3,3-dimethyl-5-oxopentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.