![methyl 4-{4-[(2-chlorophenoxy)methyl]-5-ethyl-2-thienyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate structure](/static/products/4382/438223-18-8.webp)
methyl 4-{4-[(2-chlorophenoxy)methyl]-5-ethyl-2-thienyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
TL;DR: methyl 4-{4-[(2-chlorophenoxy)methyl]-5-ethyl-2-thienyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate (CAS 438223-18-8) is a chemical compound with molecular formula C27H30ClNO4S and molecular weight 499.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[4-[(2-chlorophenoxy)methyl]-5-ethylthiophen-2-yl]-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
Also Known As: methyl 4-{4-[(2-chlorophenoxy)methyl]-5-ethyl-2-thienyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate, methyl 4-[4-[(2-chlorophenoxy)methyl]-5-ethylthiophen-2-yl]-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate, methyl 4-(4-((2-chlorophenoxy)methyl)-5-ethylthiophen-2-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, methyl 4-{4-[(2-chlorophenoxy)methyl]-5-ethylthiophen-2-yl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
| Molecular Formula | C27H30ClNO4S |
|---|---|
| Molecular Weight | 499.16 g/mol |
| LogP | 6.3199 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 499.15842 |
| Heavy Atoms | 34 |
| Complexity | 1206.9624 |
Chemical Identifiers
| CAS Number | 438223-18-8 |
|---|---|
| SMILES | CCC1=C(C=C(S1)C2C3=C(CC(CC3=O)(C)C)NC(=C2C(=O)OC)C)COC4=CC=CC=C4Cl |
Product Overview
methyl 4-{4-[(2-chlorophenoxy)methyl]-5-ethyl-2-thienyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate (CAS 438223-18-8), with molecular formula C27H30ClNO4S and molecular weight 499.16 g/mol. IUPAC: methyl 4-[4-[(2-chlorophenoxy)methyl]-5-ethylthiophen-2-yl]-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate.
Chemical Property Profile of methyl 4-{4-[(2-chlorophenoxy)methyl]-5-ethyl-2-thienyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
Property Insights of methyl 4-{4-[(2-chlorophenoxy)methyl]-5-ethyl-2-thienyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
The XLogP value of 6.3199 indicates that methyl 4-{4-[(2-chlorophenoxy)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 methyl 4-{4-[(2-chlorophenoxy)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, methyl 4-{4-[(2-chlorophenoxy)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 methyl 4-{4-[(2-chlorophenoxy)methyl]-5-ethyl-2-thienyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate?
The CAS number of methyl 4-{4-[(2-chlorophenoxy)methyl]-5-ethyl-2-thienyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate is 438223-18-8.
What is the molecular formula of methyl 4-{4-[(2-chlorophenoxy)methyl]-5-ethyl-2-thienyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate?
The molecular formula of methyl 4-{4-[(2-chlorophenoxy)methyl]-5-ethyl-2-thienyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate is C27H30ClNO4S.
What is the molecular weight of methyl 4-{4-[(2-chlorophenoxy)methyl]-5-ethyl-2-thienyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate?
The molecular weight of methyl 4-{4-[(2-chlorophenoxy)methyl]-5-ethyl-2-thienyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate is 499.16 g/mol.
Where can I buy methyl 4-{4-[(2-chlorophenoxy)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 methyl 4-{4-[(2-chlorophenoxy)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 methyl 4-{4-[(2-chlorophenoxy)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 methyl 4-{4-[(2-chlorophenoxy)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.