(5E)-5-(5-bromo-2,3-dimethoxybenzylidene)-1-(3,4-dimethylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
TL;DR: (5E)-5-(5-bromo-2,3-dimethoxybenzylidene)-1-(3,4-dimethylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione (CAS 6334-31-2) is a chemical compound with molecular formula C21H19BrN2O5 and molecular weight 458.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[(5-bromo-2,3-dimethoxyphenyl)methylidene]-1-(3,4-dimethylphenyl)-1,3-diazinane-2,4,6-trione
Also Known As: (5E)-5-(5-bromo-2,3-dimethoxybenzylidene)-1-(3,4-dimethylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione, (5E)-5-[(5-bromo-2,3-dimethoxyphenyl)methylidene]-1-(3,4-dimethylphenyl)-1,3-diazinane-2,4,6-trione
| Molecular Formula | C21H19BrN2O5 |
|---|---|
| Molecular Weight | 458.05 g/mol |
| LogP | 3.74954 |
| Topological Polar Surface Area | 84.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 458.04773 |
| Heavy Atoms | 29 |
| Complexity | 1061.2772 |
Chemical Identifiers
| CAS Number | 6334-31-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2C(=O)/C(=C/C3=C(C(=CC(=C3)Br)OC)OC)/C(=O)NC2=O)C |
Product Overview
(5E)-5-(5-bromo-2,3-dimethoxybenzylidene)-1-(3,4-dimethylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione (CAS 6334-31-2), with molecular formula C21H19BrN2O5 and molecular weight 458.05 g/mol. IUPAC: (5E)-5-[(5-bromo-2,3-dimethoxyphenyl)methylidene]-1-(3,4-dimethylphenyl)-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of (5E)-5-(5-bromo-2,3-dimethoxybenzylidene)-1-(3,4-dimethylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Property Insights of (5E)-5-(5-bromo-2,3-dimethoxybenzylidene)-1-(3,4-dimethylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
The XLogP value of 3.74954 indicates that (5E)-5-(5-bromo-2,3-dimethoxybenzylidene)-1-(3,4-dimethylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.94 Ų falls within the moderate polarity range, balancing permeability and solubility for (5E)-5-(5-bromo-2,3-dimethoxybenzylidene)-1-(3,4-dimethylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione. Following Lipinski's Rule of Five, (5E)-5-(5-bromo-2,3-dimethoxybenzylidene)-1-(3,4-dimethylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione has 1 hydrogen bond donor(s) and 5 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 (5E)-5-(5-bromo-2,3-dimethoxybenzylidene)-1-(3,4-dimethylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione?
The CAS number of (5E)-5-(5-bromo-2,3-dimethoxybenzylidene)-1-(3,4-dimethylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione is 6334-31-2.
What is the molecular formula of (5E)-5-(5-bromo-2,3-dimethoxybenzylidene)-1-(3,4-dimethylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular formula of (5E)-5-(5-bromo-2,3-dimethoxybenzylidene)-1-(3,4-dimethylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione is C21H19BrN2O5.
What is the molecular weight of (5E)-5-(5-bromo-2,3-dimethoxybenzylidene)-1-(3,4-dimethylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular weight of (5E)-5-(5-bromo-2,3-dimethoxybenzylidene)-1-(3,4-dimethylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione is 458.05 g/mol.
Where can I buy (5E)-5-(5-bromo-2,3-dimethoxybenzylidene)-1-(3,4-dimethylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione?
You can request a quote for (5E)-5-(5-bromo-2,3-dimethoxybenzylidene)-1-(3,4-dimethylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5E)-5-(5-bromo-2,3-dimethoxybenzylidene)-1-(3,4-dimethylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione?
Yes, KEHONG BIO provides custom synthesis services for (5E)-5-(5-bromo-2,3-dimethoxybenzylidene)-1-(3,4-dimethylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.