![methyl 4-(5-{[(4-chlorophenyl)sulfanyl]methyl}-2,4-dimethylphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate structure](/static/products/4382/438223-06-4.webp)
methyl 4-(5-{[(4-chlorophenyl)sulfanyl]methyl}-2,4-dimethylphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
TL;DR: methyl 4-(5-{[(4-chlorophenyl)sulfanyl]methyl}-2,4-dimethylphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate (CAS 438223-06-4) is a chemical compound with molecular formula C27H28ClNO3S and molecular weight 481.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[5-[(4-chlorophenyl)sulfanylmethyl]-2,4-dimethylphenyl]-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Also Known As: methyl 4-(5-{[(4-chlorophenyl)sulfanyl]methyl}-2,4-dimethylphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate, methyl 4-[5-[(4-chlorophenyl)sulfanylmethyl]-2,4-dimethylphenyl]-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate, methyl 4-(5-(((4-chlorophenyl)thio)methyl)-2,4-dimethylphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, methyl 4-(5-{[(4-chlorophenyl)sulfanyl]methyl}-2,4-dimethylphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
| Molecular Formula | C27H28ClNO3S |
|---|---|
| Molecular Weight | 481.15 g/mol |
| LogP | 6.39004 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 481.14786 |
| Heavy Atoms | 33 |
| Complexity | 1180.5978 |
Chemical Identifiers
| CAS Number | 438223-06-4 |
|---|---|
| SMILES | CC1=CC(=C(C=C1CSC2=CC=C(C=C2)Cl)C3C4=C(CCCC4=O)NC(=C3C(=O)OC)C)C |
Product Overview
methyl 4-(5-{[(4-chlorophenyl)sulfanyl]methyl}-2,4-dimethylphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate (CAS 438223-06-4), with molecular formula C27H28ClNO3S and molecular weight 481.15 g/mol. IUPAC: methyl 4-[5-[(4-chlorophenyl)sulfanylmethyl]-2,4-dimethylphenyl]-2-methyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate.
Chemical Property Profile of methyl 4-(5-{[(4-chlorophenyl)sulfanyl]methyl}-2,4-dimethylphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
Property Insights of methyl 4-(5-{[(4-chlorophenyl)sulfanyl]methyl}-2,4-dimethylphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
The XLogP value of 6.39004 indicates that methyl 4-(5-{[(4-chlorophenyl)sulfanyl]methyl}-2,4-dimethylphenyl)-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. With a topological polar surface area (TPSA) of 55.4 Ų, methyl 4-(5-{[(4-chlorophenyl)sulfanyl]methyl}-2,4-dimethylphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 4-(5-{[(4-chlorophenyl)sulfanyl]methyl}-2,4-dimethylphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate has 1 hydrogen bond donor(s) and 5 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-(5-{[(4-chlorophenyl)sulfanyl]methyl}-2,4-dimethylphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate?
The CAS number of methyl 4-(5-{[(4-chlorophenyl)sulfanyl]methyl}-2,4-dimethylphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate is 438223-06-4.
What is the molecular formula of methyl 4-(5-{[(4-chlorophenyl)sulfanyl]methyl}-2,4-dimethylphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate?
The molecular formula of methyl 4-(5-{[(4-chlorophenyl)sulfanyl]methyl}-2,4-dimethylphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate is C27H28ClNO3S.
What is the molecular weight of methyl 4-(5-{[(4-chlorophenyl)sulfanyl]methyl}-2,4-dimethylphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate?
The molecular weight of methyl 4-(5-{[(4-chlorophenyl)sulfanyl]methyl}-2,4-dimethylphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate is 481.15 g/mol.
Where can I buy methyl 4-(5-{[(4-chlorophenyl)sulfanyl]methyl}-2,4-dimethylphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate?
You can request a quote for methyl 4-(5-{[(4-chlorophenyl)sulfanyl]methyl}-2,4-dimethylphenyl)-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 methyl 4-(5-{[(4-chlorophenyl)sulfanyl]methyl}-2,4-dimethylphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-(5-{[(4-chlorophenyl)sulfanyl]methyl}-2,4-dimethylphenyl)-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.