![ethyl 4-{4-methoxy-3-[(2,2,2-trifluoroethoxy)methyl]phenyl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate structure](/static/products/3526/352687-03-7.webp)
ethyl 4-{4-methoxy-3-[(2,2,2-trifluoroethoxy)methyl]phenyl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
TL;DR: ethyl 4-{4-methoxy-3-[(2,2,2-trifluoroethoxy)methyl]phenyl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate (CAS 352687-03-7) is a chemical compound with molecular formula C23H26F3NO5 and molecular weight 453.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[4-methoxy-3-(2,2,2-trifluoroethoxymethyl)phenyl]-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: ethyl 4-{4-methoxy-3-[(2,2,2-trifluoroethoxy)methyl]phenyl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, ethyl 4-[4-methoxy-3-(2,2,2-trifluoroethoxymethyl)phenyl]-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate, ethyl 4-{4-methoxy-3-[(2,2,2-trifluoroethoxy)methyl]phenyl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate, ethyl 4-(4-methoxy-3-((2,2,2-trifluoroethoxy)methyl)phenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
| Molecular Formula | C23H26F3NO5 |
|---|---|
| Molecular Weight | 453.18 g/mol |
| LogP | 4.3051 |
| Topological Polar Surface Area | 73.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 453.1763 |
| Heavy Atoms | 32 |
| Complexity | 964.86884 |
Chemical Identifiers
| CAS Number | 352687-03-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)OC)COCC(F)(F)F)C(=O)CCC2)C |
Product Overview
ethyl 4-{4-methoxy-3-[(2,2,2-trifluoroethoxy)methyl]phenyl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate (CAS 352687-03-7), with molecular formula C23H26F3NO5 and molecular weight 453.18 g/mol. IUPAC: ethyl 4-[4-methoxy-3-(2,2,2-trifluoroethoxymethyl)phenyl]-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of ethyl 4-{4-methoxy-3-[(2,2,2-trifluoroethoxy)methyl]phenyl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Property Insights of ethyl 4-{4-methoxy-3-[(2,2,2-trifluoroethoxy)methyl]phenyl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
The XLogP value of 4.3051 indicates that ethyl 4-{4-methoxy-3-[(2,2,2-trifluoroethoxy)methyl]phenyl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate 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-[(2,2,2-trifluoroethoxy)methyl]phenyl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate. Following Lipinski's Rule of Five, ethyl 4-{4-methoxy-3-[(2,2,2-trifluoroethoxy)methyl]phenyl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate 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 ethyl 4-{4-methoxy-3-[(2,2,2-trifluoroethoxy)methyl]phenyl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate?
The CAS number of ethyl 4-{4-methoxy-3-[(2,2,2-trifluoroethoxy)methyl]phenyl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate is 352687-03-7.
What is the molecular formula of ethyl 4-{4-methoxy-3-[(2,2,2-trifluoroethoxy)methyl]phenyl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate?
The molecular formula of ethyl 4-{4-methoxy-3-[(2,2,2-trifluoroethoxy)methyl]phenyl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate is C23H26F3NO5.
What is the molecular weight of ethyl 4-{4-methoxy-3-[(2,2,2-trifluoroethoxy)methyl]phenyl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate?
The molecular weight of ethyl 4-{4-methoxy-3-[(2,2,2-trifluoroethoxy)methyl]phenyl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate is 453.18 g/mol.
Where can I buy ethyl 4-{4-methoxy-3-[(2,2,2-trifluoroethoxy)methyl]phenyl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate?
You can request a quote for ethyl 4-{4-methoxy-3-[(2,2,2-trifluoroethoxy)methyl]phenyl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate 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-[(2,2,2-trifluoroethoxy)methyl]phenyl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-{4-methoxy-3-[(2,2,2-trifluoroethoxy)methyl]phenyl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.