TL;DR: 6-methyl 3-propyl 2,7-dimethyl-4-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate (CAS 1005175-16-5) is a chemical compound with molecular formula C24H29NO5 and molecular weight 411.20456 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-O-methyl 3-O-propyl 2,7-dimethyl-4-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3,6-dicarboxylate
Also Known As: 6-methyl 3-propyl 2,7-dimethyl-4-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate, 6-methyl 3-propyl 2,7-dimethyl-5-oxo-4-(p-tolyl)-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate, 6-O-methyl 3-O-propyl 2,7-dimethyl-4-(4-methylphenyl)-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3,6-dicarboxylate, methyl 2,7-dimethyl-4-(4-methylphenyl)-5-oxo-3-(propoxycarbonyl)-1,4,6,7,8-pen tahydroquinoline-6-carboxylate
| Molecular Formula | C24H29NO5 |
| Molecular Weight | 411.20456 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 411.20456 Da |
| Heavy Atoms | 30 |
| Complexity | 772.0 |
| SMILES | CCCOC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)C)C(=O)C(C(C2)C)C(=O)OC)C |
| InChIKey | CNGYIJUOEZJSSY-UHFFFAOYSA-N |
The XLogP value of 4.3 indicates that 6-methyl 3-propyl 2,7-dimethyl-4-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-methyl 3-propyl 2,7-dimethyl-4-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate. Following Lipinski's Rule of Five, 6-methyl 3-propyl 2,7-dimethyl-4-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 6-methyl 3-propyl 2,7-dimethyl-4-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate is 1005175-16-5.
The molecular formula of 6-methyl 3-propyl 2,7-dimethyl-4-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate is C24H29NO5.
The molecular weight of 6-methyl 3-propyl 2,7-dimethyl-4-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate is 411.20456 g/mol.
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