4-(3-Bromo-5-ethoxy-4-methoxyphenyl)-7,7-dimethyl-2-methylidene-3-(morpholine-4-carbonyl)-2,3,4,6,7,8-hexahydroquinolin-5(1H)-one
TL;DR: 4-(3-Bromo-5-ethoxy-4-methoxyphenyl)-7,7-dimethyl-2-methylidene-3-(morpholine-4-carbonyl)-2,3,4,6,7,8-hexahydroquinolin-5(1H)-one (CAS 6745-46-6) is a chemical compound with molecular formula C26H33BrN2O5 and molecular weight 532.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-bromo-5-ethoxy-4-methoxyphenyl)-7,7-dimethyl-2-methylidene-3-(morpholine-4-carbonyl)-3,4,6,8-tetrahydro-1H-quinolin-5-one
Also Known As: 4-(3-Bromo-5-ethoxy-4-methoxyphenyl)-7,7-dimethyl-2-methylidene-3-(morpholine-4-carbonyl)-2,3,4,6,7,8-hexahydroquinolin-5(1H)-one, 4-(3-bromo-5-ethoxy-4-methoxyphenyl)-7,7-dimethyl-2-methylidene-3-(morpholine-4-carbonyl)-3,4,6,8-tetrahydro-1H-quinolin-5-one
| Molecular Formula | C26H33BrN2O5 |
|---|---|
| Molecular Weight | 532.16 g/mol |
| LogP | 4.1751 |
| Topological Polar Surface Area | 77.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 532.1573 |
| Heavy Atoms | 34 |
| Complexity | 1041.8717 |
Chemical Identifiers
| CAS Number | 6745-46-6 |
|---|---|
| SMILES | CCOC1=C(C(=CC(=C1)C2C(C(=C)NC3=C2C(=O)CC(C3)(C)C)C(=O)N4CCOCC4)Br)OC |
Product Overview
4-(3-Bromo-5-ethoxy-4-methoxyphenyl)-7,7-dimethyl-2-methylidene-3-(morpholine-4-carbonyl)-2,3,4,6,7,8-hexahydroquinolin-5(1H)-one (CAS 6745-46-6), with molecular formula C26H33BrN2O5 and molecular weight 532.16 g/mol. IUPAC: 4-(3-bromo-5-ethoxy-4-methoxyphenyl)-7,7-dimethyl-2-methylidene-3-(morpholine-4-carbonyl)-3,4,6,8-tetrahydro-1H-quinolin-5-one.
Chemical Property Profile of 4-(3-Bromo-5-ethoxy-4-methoxyphenyl)-7,7-dimethyl-2-methylidene-3-(morpholine-4-carbonyl)-2,3,4,6,7,8-hexahydroquinolin-5(1H)-one
Property Insights of 4-(3-Bromo-5-ethoxy-4-methoxyphenyl)-7,7-dimethyl-2-methylidene-3-(morpholine-4-carbonyl)-2,3,4,6,7,8-hexahydroquinolin-5(1H)-one
The XLogP value of 4.1751 indicates that 4-(3-Bromo-5-ethoxy-4-methoxyphenyl)-7,7-dimethyl-2-methylidene-3-(morpholine-4-carbonyl)-2,3,4,6,7,8-hexahydroquinolin-5(1H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3-Bromo-5-ethoxy-4-methoxyphenyl)-7,7-dimethyl-2-methylidene-3-(morpholine-4-carbonyl)-2,3,4,6,7,8-hexahydroquinolin-5(1H)-one. Following Lipinski's Rule of Five, 4-(3-Bromo-5-ethoxy-4-methoxyphenyl)-7,7-dimethyl-2-methylidene-3-(morpholine-4-carbonyl)-2,3,4,6,7,8-hexahydroquinolin-5(1H)-one has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(3-Bromo-5-ethoxy-4-methoxyphenyl)-7,7-dimethyl-2-methylidene-3-(morpholine-4-carbonyl)-2,3,4,6,7,8-hexahydroquinolin-5(1H)-one?
The CAS number of 4-(3-Bromo-5-ethoxy-4-methoxyphenyl)-7,7-dimethyl-2-methylidene-3-(morpholine-4-carbonyl)-2,3,4,6,7,8-hexahydroquinolin-5(1H)-one is 6745-46-6.
What is the molecular formula of 4-(3-Bromo-5-ethoxy-4-methoxyphenyl)-7,7-dimethyl-2-methylidene-3-(morpholine-4-carbonyl)-2,3,4,6,7,8-hexahydroquinolin-5(1H)-one?
The molecular formula of 4-(3-Bromo-5-ethoxy-4-methoxyphenyl)-7,7-dimethyl-2-methylidene-3-(morpholine-4-carbonyl)-2,3,4,6,7,8-hexahydroquinolin-5(1H)-one is C26H33BrN2O5.
What is the molecular weight of 4-(3-Bromo-5-ethoxy-4-methoxyphenyl)-7,7-dimethyl-2-methylidene-3-(morpholine-4-carbonyl)-2,3,4,6,7,8-hexahydroquinolin-5(1H)-one?
The molecular weight of 4-(3-Bromo-5-ethoxy-4-methoxyphenyl)-7,7-dimethyl-2-methylidene-3-(morpholine-4-carbonyl)-2,3,4,6,7,8-hexahydroquinolin-5(1H)-one is 532.16 g/mol.
Where can I buy 4-(3-Bromo-5-ethoxy-4-methoxyphenyl)-7,7-dimethyl-2-methylidene-3-(morpholine-4-carbonyl)-2,3,4,6,7,8-hexahydroquinolin-5(1H)-one?
You can request a quote for 4-(3-Bromo-5-ethoxy-4-methoxyphenyl)-7,7-dimethyl-2-methylidene-3-(morpholine-4-carbonyl)-2,3,4,6,7,8-hexahydroquinolin-5(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3-Bromo-5-ethoxy-4-methoxyphenyl)-7,7-dimethyl-2-methylidene-3-(morpholine-4-carbonyl)-2,3,4,6,7,8-hexahydroquinolin-5(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-Bromo-5-ethoxy-4-methoxyphenyl)-7,7-dimethyl-2-methylidene-3-(morpholine-4-carbonyl)-2,3,4,6,7,8-hexahydroquinolin-5(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.