![ethyl 4-{4-[(4-bromophenoxy)methyl]-5-ethyl-2-thienyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate structure](/static/products/4382/438228-81-0.webp)
ethyl 4-{4-[(4-bromophenoxy)methyl]-5-ethyl-2-thienyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
TL;DR: ethyl 4-{4-[(4-bromophenoxy)methyl]-5-ethyl-2-thienyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate (CAS 438228-81-0) is a chemical compound with molecular formula C28H32BrNO4S and molecular weight 557.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[4-[(4-bromophenoxy)methyl]-5-ethylthiophen-2-yl]-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
Also Known As: ethyl 4-{4-[(4-bromophenoxy)methyl]-5-ethyl-2-thienyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate, ethyl 4-[4-[(4-bromophenoxy)methyl]-5-ethylthiophen-2-yl]-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate, ethyl 4-{4-[(4-bromophenoxy)methyl]-5-ethylthiophen-2-yl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
| Molecular Formula | C28H32BrNO4S |
|---|---|
| Molecular Weight | 557.12 g/mol |
| LogP | 6.8191 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 557.12354 |
| Heavy Atoms | 35 |
| Complexity | 1206.0455 |
Chemical Identifiers
| CAS Number | 438228-81-0 |
|---|---|
| SMILES | CCC1=C(C=C(S1)C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)OCC)C)COC4=CC=C(C=C4)Br |
Product Overview
ethyl 4-{4-[(4-bromophenoxy)methyl]-5-ethyl-2-thienyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate (CAS 438228-81-0), with molecular formula C28H32BrNO4S and molecular weight 557.12 g/mol. IUPAC: ethyl 4-[4-[(4-bromophenoxy)methyl]-5-ethylthiophen-2-yl]-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate.
Chemical Property Profile of ethyl 4-{4-[(4-bromophenoxy)methyl]-5-ethyl-2-thienyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
Property Insights of ethyl 4-{4-[(4-bromophenoxy)methyl]-5-ethyl-2-thienyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
The XLogP value of 6.8191 indicates that ethyl 4-{4-[(4-bromophenoxy)methyl]-5-ethyl-2-thienyl}-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 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-{4-[(4-bromophenoxy)methyl]-5-ethyl-2-thienyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate. Following Lipinski's Rule of Five, ethyl 4-{4-[(4-bromophenoxy)methyl]-5-ethyl-2-thienyl}-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-[(4-bromophenoxy)methyl]-5-ethyl-2-thienyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate?
The CAS number of ethyl 4-{4-[(4-bromophenoxy)methyl]-5-ethyl-2-thienyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate is 438228-81-0.
What is the molecular formula of ethyl 4-{4-[(4-bromophenoxy)methyl]-5-ethyl-2-thienyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate?
The molecular formula of ethyl 4-{4-[(4-bromophenoxy)methyl]-5-ethyl-2-thienyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate is C28H32BrNO4S.
What is the molecular weight of ethyl 4-{4-[(4-bromophenoxy)methyl]-5-ethyl-2-thienyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate?
The molecular weight of ethyl 4-{4-[(4-bromophenoxy)methyl]-5-ethyl-2-thienyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate is 557.12 g/mol.
Where can I buy ethyl 4-{4-[(4-bromophenoxy)methyl]-5-ethyl-2-thienyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate?
You can request a quote for ethyl 4-{4-[(4-bromophenoxy)methyl]-5-ethyl-2-thienyl}-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-[(4-bromophenoxy)methyl]-5-ethyl-2-thienyl}-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-[(4-bromophenoxy)methyl]-5-ethyl-2-thienyl}-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.