1-(4-bromo-2-methylphenyl)-5-(3,4,5-trimethoxybenzylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione
TL;DR: 1-(4-bromo-2-methylphenyl)-5-(3,4,5-trimethoxybenzylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione (CAS 6006-19-5) is a chemical compound with molecular formula C21H19BrN2O6 and molecular weight 474.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-1-(4-bromo-2-methylphenyl)-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
Also Known As: 1-(4-bromo-2-methylphenyl)-5-(3,4,5-trimethoxybenzylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione, (5E)-1-(4-bromo-2-methylphenyl)-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
| Molecular Formula | C21H19BrN2O6 |
|---|---|
| Molecular Weight | 474.04 g/mol |
| LogP | 3.44972 |
| Topological Polar Surface Area | 94.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 474.04266 |
| Heavy Atoms | 30 |
| Complexity | 1054.1565 |
Chemical Identifiers
| CAS Number | 6006-19-5 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)Br)N2C(=O)/C(=C/C3=CC(=C(C(=C3)OC)OC)OC)/C(=O)NC2=O |
Product Overview
1-(4-bromo-2-methylphenyl)-5-(3,4,5-trimethoxybenzylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione (CAS 6006-19-5), with molecular formula C21H19BrN2O6 and molecular weight 474.04 g/mol. IUPAC: (5E)-1-(4-bromo-2-methylphenyl)-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 1-(4-bromo-2-methylphenyl)-5-(3,4,5-trimethoxybenzylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione
Property Insights of 1-(4-bromo-2-methylphenyl)-5-(3,4,5-trimethoxybenzylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione
The XLogP value of 3.44972 indicates that 1-(4-bromo-2-methylphenyl)-5-(3,4,5-trimethoxybenzylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.17 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-bromo-2-methylphenyl)-5-(3,4,5-trimethoxybenzylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione. Following Lipinski's Rule of Five, 1-(4-bromo-2-methylphenyl)-5-(3,4,5-trimethoxybenzylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione has 1 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 1-(4-bromo-2-methylphenyl)-5-(3,4,5-trimethoxybenzylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione?
The CAS number of 1-(4-bromo-2-methylphenyl)-5-(3,4,5-trimethoxybenzylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione is 6006-19-5.
What is the molecular formula of 1-(4-bromo-2-methylphenyl)-5-(3,4,5-trimethoxybenzylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione?
The molecular formula of 1-(4-bromo-2-methylphenyl)-5-(3,4,5-trimethoxybenzylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione is C21H19BrN2O6.
What is the molecular weight of 1-(4-bromo-2-methylphenyl)-5-(3,4,5-trimethoxybenzylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione?
The molecular weight of 1-(4-bromo-2-methylphenyl)-5-(3,4,5-trimethoxybenzylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione is 474.04 g/mol.
Where can I buy 1-(4-bromo-2-methylphenyl)-5-(3,4,5-trimethoxybenzylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione?
You can request a quote for 1-(4-bromo-2-methylphenyl)-5-(3,4,5-trimethoxybenzylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-bromo-2-methylphenyl)-5-(3,4,5-trimethoxybenzylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-bromo-2-methylphenyl)-5-(3,4,5-trimethoxybenzylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.