1-(4-bromophenyl)-5-(2-methoxybenzylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione
TL;DR: 1-(4-bromophenyl)-5-(2-methoxybenzylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione (CAS 5308-09-8) is a chemical compound with molecular formula C18H13BrN2O4 and molecular weight 400.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-1-(4-bromophenyl)-5-[(2-methoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
Also Known As: BIM-0048091.P001, 1-(4-bromophenyl)-5-(2-methoxybenzylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione, (5E)-1-(4-bromophenyl)-5-[(2-methoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione, 1-(4-bromophenyl)-5-[(2-methoxyphenyl)methylene]-1,3-dihydropyrimidine-2,4,6-t rione
| Molecular Formula | C18H13BrN2O4 |
|---|---|
| Molecular Weight | 400.01 g/mol |
| LogP | 3.1241 |
| Topological Polar Surface Area | 75.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 400.00586 |
| Heavy Atoms | 25 |
| Complexity | 890.204 |
Chemical Identifiers
| CAS Number | 5308-09-8 |
|---|---|
| SMILES | COC1=CC=CC=C1/C=C/2\C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)Br |
Product Overview
1-(4-bromophenyl)-5-(2-methoxybenzylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione (CAS 5308-09-8), with molecular formula C18H13BrN2O4 and molecular weight 400.01 g/mol. IUPAC: (5E)-1-(4-bromophenyl)-5-[(2-methoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 1-(4-bromophenyl)-5-(2-methoxybenzylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione
Property Insights of 1-(4-bromophenyl)-5-(2-methoxybenzylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione
The XLogP value of 3.1241 indicates that 1-(4-bromophenyl)-5-(2-methoxybenzylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-bromophenyl)-5-(2-methoxybenzylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione. Following Lipinski's Rule of Five, 1-(4-bromophenyl)-5-(2-methoxybenzylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione has 1 hydrogen bond donor(s) and 4 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-bromophenyl)-5-(2-methoxybenzylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione?
The CAS number of 1-(4-bromophenyl)-5-(2-methoxybenzylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione is 5308-09-8.
What is the molecular formula of 1-(4-bromophenyl)-5-(2-methoxybenzylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione?
The molecular formula of 1-(4-bromophenyl)-5-(2-methoxybenzylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione is C18H13BrN2O4.
What is the molecular weight of 1-(4-bromophenyl)-5-(2-methoxybenzylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione?
The molecular weight of 1-(4-bromophenyl)-5-(2-methoxybenzylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione is 400.01 g/mol.
Where can I buy 1-(4-bromophenyl)-5-(2-methoxybenzylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione?
You can request a quote for 1-(4-bromophenyl)-5-(2-methoxybenzylidene)-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-bromophenyl)-5-(2-methoxybenzylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-bromophenyl)-5-(2-methoxybenzylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.