methyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-7-methyl-2,5-dioxo-1,2,3,4,5,6,7,8-octahydroquinoline-6-carboxylate
TL;DR: methyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-7-methyl-2,5-dioxo-1,2,3,4,5,6,7,8-octahydroquinoline-6-carboxylate (CAS 1005083-18-0) is a chemical compound with molecular formula C20H22BrNO6 and molecular weight 451.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-7-methyl-2,5-dioxo-1,3,4,6,7,8-hexahydroquinoline-6-carboxylate
Also Known As: methyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-7-methyl-2,5-dioxo-1,2,3,4,5,6,7,8-octahydroquinoline-6-carboxylate, methyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-7-methyl-2,5-dioxo-1,3,4,6,7,8-hex ahydroquinoline-6-carboxylate, methyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-7-methyl-2,5-dioxo-1,3,4,6,7,8-hexahydroquinoline-6-carboxylate
| Molecular Formula | C20H22BrNO6 |
|---|---|
| Molecular Weight | 451.06 g/mol |
| LogP | 2.8091 |
| Topological Polar Surface Area | 101.93 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 451.06305 |
| Heavy Atoms | 28 |
| Complexity | 877.692 |
Chemical Identifiers
| CAS Number | 1005083-18-0 |
|---|---|
| SMILES | CCOC1=C(C(=CC(=C1)C2CC(=O)NC3=C2C(=O)C(C(C3)C)C(=O)OC)Br)O |
Product Overview
methyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-7-methyl-2,5-dioxo-1,2,3,4,5,6,7,8-octahydroquinoline-6-carboxylate (CAS 1005083-18-0), with molecular formula C20H22BrNO6 and molecular weight 451.06 g/mol. IUPAC: methyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-7-methyl-2,5-dioxo-1,3,4,6,7,8-hexahydroquinoline-6-carboxylate.
Chemical Property Profile of methyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-7-methyl-2,5-dioxo-1,2,3,4,5,6,7,8-octahydroquinoline-6-carboxylate
Property Insights of methyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-7-methyl-2,5-dioxo-1,2,3,4,5,6,7,8-octahydroquinoline-6-carboxylate
The XLogP value of 2.8091 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-7-methyl-2,5-dioxo-1,2,3,4,5,6,7,8-octahydroquinoline-6-carboxylate. The TPSA of 101.93 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-7-methyl-2,5-dioxo-1,2,3,4,5,6,7,8-octahydroquinoline-6-carboxylate. Following Lipinski's Rule of Five, methyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-7-methyl-2,5-dioxo-1,2,3,4,5,6,7,8-octahydroquinoline-6-carboxylate has 2 hydrogen bond donor(s) and 6 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 methyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-7-methyl-2,5-dioxo-1,2,3,4,5,6,7,8-octahydroquinoline-6-carboxylate?
The CAS number of methyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-7-methyl-2,5-dioxo-1,2,3,4,5,6,7,8-octahydroquinoline-6-carboxylate is 1005083-18-0.
What is the molecular formula of methyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-7-methyl-2,5-dioxo-1,2,3,4,5,6,7,8-octahydroquinoline-6-carboxylate?
The molecular formula of methyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-7-methyl-2,5-dioxo-1,2,3,4,5,6,7,8-octahydroquinoline-6-carboxylate is C20H22BrNO6.
What is the molecular weight of methyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-7-methyl-2,5-dioxo-1,2,3,4,5,6,7,8-octahydroquinoline-6-carboxylate?
The molecular weight of methyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-7-methyl-2,5-dioxo-1,2,3,4,5,6,7,8-octahydroquinoline-6-carboxylate is 451.06 g/mol.
Where can I buy methyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-7-methyl-2,5-dioxo-1,2,3,4,5,6,7,8-octahydroquinoline-6-carboxylate?
You can request a quote for methyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-7-methyl-2,5-dioxo-1,2,3,4,5,6,7,8-octahydroquinoline-6-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-7-methyl-2,5-dioxo-1,2,3,4,5,6,7,8-octahydroquinoline-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-7-methyl-2,5-dioxo-1,2,3,4,5,6,7,8-octahydroquinoline-6-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.