6-methyl 3-propyl 4-(4-hydroxyphenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
TL;DR: 6-methyl 3-propyl 4-(4-hydroxyphenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate (CAS 1005048-71-4) is a chemical compound with molecular formula C23H27NO6 and molecular weight 413.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-O-methyl 3-O-propyl 4-(4-hydroxyphenyl)-2,7-dimethyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3,6-dicarboxylate
Also Known As: 6-methyl 3-propyl 4-(4-hydroxyphenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate, 6-O-methyl 3-O-propyl 4-(4-hydroxyphenyl)-2,7-dimethyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3,6-dicarboxylate, methyl 4-(4-hydroxyphenyl)-2,7-dimethyl-5-oxo-3-(propoxycarbonyl)-1,4,6,7,8-pe ntahydroquinoline-6-carboxylate
| Molecular Formula | C23H27NO6 |
|---|---|
| Molecular Weight | 413.18 g/mol |
| LogP | 2.9584 |
| Topological Polar Surface Area | 101.93 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 413.18384 |
| Heavy Atoms | 30 |
| Complexity | 927.51666 |
Chemical Identifiers
| CAS Number | 1005048-71-4 |
|---|---|
| SMILES | CCCOC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)O)C(=O)C(C(C2)C)C(=O)OC)C |
Product Overview
6-methyl 3-propyl 4-(4-hydroxyphenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate (CAS 1005048-71-4), with molecular formula C23H27NO6 and molecular weight 413.18 g/mol. IUPAC: 6-O-methyl 3-O-propyl 4-(4-hydroxyphenyl)-2,7-dimethyl-5-oxo-4,6,7,8-tetrahydro-1H-quinoline-3,6-dicarboxylate.
Chemical Property Profile of 6-methyl 3-propyl 4-(4-hydroxyphenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Property Insights of 6-methyl 3-propyl 4-(4-hydroxyphenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
The XLogP value of 2.9584 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-methyl 3-propyl 4-(4-hydroxyphenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate. The TPSA of 101.93 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-methyl 3-propyl 4-(4-hydroxyphenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate. Following Lipinski's Rule of Five, 6-methyl 3-propyl 4-(4-hydroxyphenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate has 2 hydrogen bond donor(s) and 7 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 6-methyl 3-propyl 4-(4-hydroxyphenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate?
The CAS number of 6-methyl 3-propyl 4-(4-hydroxyphenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate is 1005048-71-4.
What is the molecular formula of 6-methyl 3-propyl 4-(4-hydroxyphenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate?
The molecular formula of 6-methyl 3-propyl 4-(4-hydroxyphenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate is C23H27NO6.
What is the molecular weight of 6-methyl 3-propyl 4-(4-hydroxyphenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate?
The molecular weight of 6-methyl 3-propyl 4-(4-hydroxyphenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate is 413.18 g/mol.
Where can I buy 6-methyl 3-propyl 4-(4-hydroxyphenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate?
You can request a quote for 6-methyl 3-propyl 4-(4-hydroxyphenyl)-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 6-methyl 3-propyl 4-(4-hydroxyphenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 6-methyl 3-propyl 4-(4-hydroxyphenyl)-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.