![ethyl 4-{3-[(4-bromo-2-chlorophenoxy)methyl]-4-methoxyphenyl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate structure](/static/products/4452/445236-84-0.webp)
ethyl 4-{3-[(4-bromo-2-chlorophenoxy)methyl]-4-methoxyphenyl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
TL;DR: ethyl 4-{3-[(4-bromo-2-chlorophenoxy)methyl]-4-methoxyphenyl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate (CAS 445236-84-0) is a chemical compound with molecular formula C27H27BrClNO5 and molecular weight 559.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[3-[(4-bromo-2-chlorophenoxy)methyl]-4-methoxyphenyl]-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: ethyl 4-{3-[(4-bromo-2-chlorophenoxy)methyl]-4-methoxyphenyl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate, ethyl 4-[3-[(4-bromo-2-chlorophenoxy)methyl]-4-methoxyphenyl]-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate, ethyl 4-(3-((4-bromo-2-chlorophenoxy)methyl)-4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, ethyl 4-{3-[(4-bromo-2-chlorophenoxy)methyl]-4-methoxyphenyl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
| Molecular Formula | C27H27BrClNO5 |
|---|---|
| Molecular Weight | 559.08 g/mol |
| LogP | 6.2211 |
| Topological Polar Surface Area | 73.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 559.0761 |
| Heavy Atoms | 35 |
| Complexity | 1236.0726 |
Chemical Identifiers
| CAS Number | 445236-84-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)OC)COC4=C(C=C(C=C4)Br)Cl)C(=O)CCC2)C |
Product Overview
ethyl 4-{3-[(4-bromo-2-chlorophenoxy)methyl]-4-methoxyphenyl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate (CAS 445236-84-0), with molecular formula C27H27BrClNO5 and molecular weight 559.08 g/mol. IUPAC: ethyl 4-[3-[(4-bromo-2-chlorophenoxy)methyl]-4-methoxyphenyl]-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of ethyl 4-{3-[(4-bromo-2-chlorophenoxy)methyl]-4-methoxyphenyl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
Property Insights of ethyl 4-{3-[(4-bromo-2-chlorophenoxy)methyl]-4-methoxyphenyl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
The XLogP value of 6.2211 indicates that ethyl 4-{3-[(4-bromo-2-chlorophenoxy)methyl]-4-methoxyphenyl}-2-methyl-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-{3-[(4-bromo-2-chlorophenoxy)methyl]-4-methoxyphenyl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate. Following Lipinski's Rule of Five, ethyl 4-{3-[(4-bromo-2-chlorophenoxy)methyl]-4-methoxyphenyl}-2-methyl-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-{3-[(4-bromo-2-chlorophenoxy)methyl]-4-methoxyphenyl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate?
The CAS number of ethyl 4-{3-[(4-bromo-2-chlorophenoxy)methyl]-4-methoxyphenyl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate is 445236-84-0.
What is the molecular formula of ethyl 4-{3-[(4-bromo-2-chlorophenoxy)methyl]-4-methoxyphenyl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate?
The molecular formula of ethyl 4-{3-[(4-bromo-2-chlorophenoxy)methyl]-4-methoxyphenyl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate is C27H27BrClNO5.
What is the molecular weight of ethyl 4-{3-[(4-bromo-2-chlorophenoxy)methyl]-4-methoxyphenyl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate?
The molecular weight of ethyl 4-{3-[(4-bromo-2-chlorophenoxy)methyl]-4-methoxyphenyl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate is 559.08 g/mol.
Where can I buy ethyl 4-{3-[(4-bromo-2-chlorophenoxy)methyl]-4-methoxyphenyl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate?
You can request a quote for ethyl 4-{3-[(4-bromo-2-chlorophenoxy)methyl]-4-methoxyphenyl}-2-methyl-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-{3-[(4-bromo-2-chlorophenoxy)methyl]-4-methoxyphenyl}-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-{3-[(4-bromo-2-chlorophenoxy)methyl]-4-methoxyphenyl}-2-methyl-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.