3-butan-2-yl 6-methyl 4-(3-methoxyphenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
TL;DR: 3-butan-2-yl 6-methyl 4-(3-methoxyphenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate (CAS 1005146-45-1) is a chemical compound with molecular formula C25H31NO6 and molecular weight 441.21515 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-O-butan-2-yl 6-O-methyl 4-(3-methoxyphenyl)-2,7-dimethyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3,6-dicarboxylate
Also Known As: 3-butan-2-yl 6-methyl 4-(3-methoxyphenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate, 3-O-butan-2-yl 6-O-methyl 4-(3-methoxyphenyl)-2,7-dimethyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3,6-dicarboxylate, 3-sec-butyl 6-methyl 4-(3-methoxyphenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate, methyl 4-(3-methoxyphenyl)-2,7-dimethyl-3-[(methylpropyl)oxycarbonyl]-5-oxo-1, 4,6,7,8-pentahydroquinoline-6-carboxylate
Technical Specifications
| Molecular Formula | C25H31NO6 |
| Molecular Weight | 441.21515 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 90.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 441.21515 Da |
| Heavy Atoms | 32 |
| Complexity | 828.0 |
| SMILES | CCC(C)OC(=O)C1=C(NC2=C(C1C3=CC(=CC=C3)OC)C(=O)C(C(C2)C)C(=O)OC)C |
| InChIKey | YDPREGGQZUTJRB-UHFFFAOYSA-N |
Chemical Property Profile of 3-butan-2-yl 6-methyl 4-(3-methoxyphenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Property Insights of 3-butan-2-yl 6-methyl 4-(3-methoxyphenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
The XLogP value of 4.3 indicates that 3-butan-2-yl 6-methyl 4-(3-methoxyphenyl)-2,7-dimethyl-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 90.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-butan-2-yl 6-methyl 4-(3-methoxyphenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate. Following Lipinski's Rule of Five, 3-butan-2-yl 6-methyl 4-(3-methoxyphenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-butan-2-yl 6-methyl 4-(3-methoxyphenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate?
The CAS number of 3-butan-2-yl 6-methyl 4-(3-methoxyphenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate is 1005146-45-1.
What is the molecular formula of 3-butan-2-yl 6-methyl 4-(3-methoxyphenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate?
The molecular formula of 3-butan-2-yl 6-methyl 4-(3-methoxyphenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate is C25H31NO6.
What is the molecular weight of 3-butan-2-yl 6-methyl 4-(3-methoxyphenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate?
The molecular weight of 3-butan-2-yl 6-methyl 4-(3-methoxyphenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate is 441.21515 g/mol.
Where can I buy 3-butan-2-yl 6-methyl 4-(3-methoxyphenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate?
You can request a quote for 3-butan-2-yl 6-methyl 4-(3-methoxyphenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-butan-2-yl 6-methyl 4-(3-methoxyphenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate?
Yes, CoreyChem provides custom synthesis services for 3-butan-2-yl 6-methyl 4-(3-methoxyphenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.