3-butan-2-yl 6-methyl 4-(4-ethoxy-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-(4-ethoxy-3-methoxyphenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate (CAS 1005176-10-2) is a chemical compound with molecular formula C27H35NO7 and molecular weight 485.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-O-butan-2-yl 6-O-methyl 4-(4-ethoxy-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-(4-ethoxy-3-methoxyphenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate, 3-O-[(2R)-butan-2-yl] 6-O-methyl (4S,6S,7S)-4-(4-ethoxy-3-methoxyphenyl)-2,7-dimethyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3,6-dicarboxylate, 3-O-butan-2-yl 6-O-methyl 4-(4-ethoxy-3-methoxyphenyl)-2,7-dimethyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3,6-dicarboxylate, 3-sec-butyl 6-methyl 4-(4-ethoxy-3-methoxyphenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3,6-quinolinedicarboxylate, methyl 4-(4-ethoxy-3-methoxyphenyl)-2,7-dimethyl-3-[(methylpropyl)oxycarbonyl] -5-oxo-1,4,6,7,8-pentahydroquinoline-6-carboxylate
| Molecular Formula | C27H35NO7 |
|---|---|
| Molecular Weight | 485.24 g/mol |
| LogP | 4.0486 |
| Topological Polar Surface Area | 100.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 485.24136 |
| Heavy Atoms | 35 |
| Complexity | 1071.2881 |
Chemical Identifiers
| CAS Number | 1005176-10-2 |
|---|---|
| SMILES | CCC(C)OC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)OCC)OC)C(=O)C(C(C2)C)C(=O)OC)C |
Product Overview
3-butan-2-yl 6-methyl 4-(4-ethoxy-3-methoxyphenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate (CAS 1005176-10-2), with molecular formula C27H35NO7 and molecular weight 485.24 g/mol. IUPAC: 3-O-butan-2-yl 6-O-methyl 4-(4-ethoxy-3-methoxyphenyl)-2,7-dimethyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3,6-dicarboxylate.
Chemical Property Profile of 3-butan-2-yl 6-methyl 4-(4-ethoxy-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-(4-ethoxy-3-methoxyphenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
The XLogP value of 4.0486 indicates that 3-butan-2-yl 6-methyl 4-(4-ethoxy-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 100.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-butan-2-yl 6-methyl 4-(4-ethoxy-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-(4-ethoxy-3-methoxyphenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-butan-2-yl 6-methyl 4-(4-ethoxy-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-(4-ethoxy-3-methoxyphenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate is 1005176-10-2.
What is the molecular formula of 3-butan-2-yl 6-methyl 4-(4-ethoxy-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-(4-ethoxy-3-methoxyphenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate is C27H35NO7.
What is the molecular weight of 3-butan-2-yl 6-methyl 4-(4-ethoxy-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-(4-ethoxy-3-methoxyphenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate is 485.24 g/mol.
Where can I buy 3-butan-2-yl 6-methyl 4-(4-ethoxy-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-(4-ethoxy-3-methoxyphenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-butan-2-yl 6-methyl 4-(4-ethoxy-3-methoxyphenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 3-butan-2-yl 6-methyl 4-(4-ethoxy-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.