![ethyl 4-(4-methoxy-3-{[3-(trifluoromethyl)phenoxy]methyl}phenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate structure](/static/products/4452/445236-72-6.webp)
ethyl 4-(4-methoxy-3-{[3-(trifluoromethyl)phenoxy]methyl}phenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
TL;DR: ethyl 4-(4-methoxy-3-{[3-(trifluoromethyl)phenoxy]methyl}phenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate (CAS 445236-72-6) is a chemical compound with molecular formula C30H32F3NO5 and molecular weight 543.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[4-methoxy-3-[[3-(trifluoromethyl)phenoxy]methyl]phenyl]-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
Also Known As: ethyl 4-(4-methoxy-3-{[3-(trifluoromethyl)phenoxy]methyl}phenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate, ethyl 4-[4-methoxy-3-[[3-(trifluoromethyl)phenoxy]methyl]phenyl]-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate, ethyl 4-(4-methoxy-3-((3-(trifluoromethyl)phenoxy)methyl)phenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, ethyl 4-(4-methoxy-3-{[3-(trifluoromethyl)phenoxy]methyl}phenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
| Molecular Formula | C30H32F3NO5 |
|---|---|
| Molecular Weight | 543.22 g/mol |
| LogP | 6.4601 |
| Topological Polar Surface Area | 73.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 543.22327 |
| Heavy Atoms | 39 |
| Complexity | 1356.6067 |
Chemical Identifiers
| CAS Number | 445236-72-6 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)OC)COC4=CC=CC(=C4)C(F)(F)F)C(=O)CC(C2)(C)C)C |
Product Overview
ethyl 4-(4-methoxy-3-{[3-(trifluoromethyl)phenoxy]methyl}phenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate (CAS 445236-72-6), with molecular formula C30H32F3NO5 and molecular weight 543.22 g/mol. IUPAC: ethyl 4-[4-methoxy-3-[[3-(trifluoromethyl)phenoxy]methyl]phenyl]-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate.
Chemical Property Profile of ethyl 4-(4-methoxy-3-{[3-(trifluoromethyl)phenoxy]methyl}phenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
Property Insights of ethyl 4-(4-methoxy-3-{[3-(trifluoromethyl)phenoxy]methyl}phenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
The XLogP value of 6.4601 indicates that ethyl 4-(4-methoxy-3-{[3-(trifluoromethyl)phenoxy]methyl}phenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.86 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-(4-methoxy-3-{[3-(trifluoromethyl)phenoxy]methyl}phenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate. Following Lipinski's Rule of Five, ethyl 4-(4-methoxy-3-{[3-(trifluoromethyl)phenoxy]methyl}phenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 4-(4-methoxy-3-{[3-(trifluoromethyl)phenoxy]methyl}phenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate?
The CAS number of ethyl 4-(4-methoxy-3-{[3-(trifluoromethyl)phenoxy]methyl}phenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate is 445236-72-6.
What is the molecular formula of ethyl 4-(4-methoxy-3-{[3-(trifluoromethyl)phenoxy]methyl}phenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate?
The molecular formula of ethyl 4-(4-methoxy-3-{[3-(trifluoromethyl)phenoxy]methyl}phenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate is C30H32F3NO5.
What is the molecular weight of ethyl 4-(4-methoxy-3-{[3-(trifluoromethyl)phenoxy]methyl}phenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate?
The molecular weight of ethyl 4-(4-methoxy-3-{[3-(trifluoromethyl)phenoxy]methyl}phenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate is 543.22 g/mol.
Where can I buy ethyl 4-(4-methoxy-3-{[3-(trifluoromethyl)phenoxy]methyl}phenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate?
You can request a quote for ethyl 4-(4-methoxy-3-{[3-(trifluoromethyl)phenoxy]methyl}phenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-(4-methoxy-3-{[3-(trifluoromethyl)phenoxy]methyl}phenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-(4-methoxy-3-{[3-(trifluoromethyl)phenoxy]methyl}phenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.