![5-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylidene]-1-(2-methoxyethyl)-2,4,6(1H,3H,5H)-pyrimidinetrione structure](/static/products/866/866049-50-5.png)
5-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylidene]-1-(2-methoxyethyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
TL;DR: 5-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylidene]-1-(2-methoxyethyl)-2,4,6(1H,3H,5H)-pyrimidinetrione (CAS 866049-50-5) is a chemical compound with molecular formula C15H13BrN2O6 and molecular weight 396.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-1-(2-methoxyethyl)-1,3-diazinane-2,4,6-trione
Also Known As: 5-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylidene]-1-(2-methoxyethyl)-2,4,6(1H,3H,5H)-pyrimidinetrione, 5-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-1-(2-methoxyethyl)-1,3-diazinane-2,4,6-trione, 5-[(6-bromobenzo[1,3]dioxol-5-yl)methylidene]-1-(2-methoxyethyl)-1,3-diazinane-2,4,6-trione
| Molecular Formula | C15H13BrN2O6 |
|---|---|
| Molecular Weight | 396.00 g/mol |
| LogP | 1.286 |
| Topological Polar Surface Area | 94.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 395.9957 |
| Heavy Atoms | 24 |
| Complexity | 760.57635 |
Chemical Identifiers
| CAS Number | 866049-50-5 |
|---|---|
| SMILES | COCCN1C(=O)C(=CC2=CC3=C(C=C2Br)OCO3)C(=O)NC1=O |
Product Overview
5-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylidene]-1-(2-methoxyethyl)-2,4,6(1H,3H,5H)-pyrimidinetrione (CAS 866049-50-5), with molecular formula C15H13BrN2O6 and molecular weight 396.00 g/mol. IUPAC: 5-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-1-(2-methoxyethyl)-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 5-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylidene]-1-(2-methoxyethyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
Property Insights of 5-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylidene]-1-(2-methoxyethyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
The XLogP value of 1.286 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylidene]-1-(2-methoxyethyl)-2,4,6(1H,3H,5H)-pyrimidinetrione. The TPSA of 94.17 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylidene]-1-(2-methoxyethyl)-2,4,6(1H,3H,5H)-pyrimidinetrione. Following Lipinski's Rule of Five, 5-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylidene]-1-(2-methoxyethyl)-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 5-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylidene]-1-(2-methoxyethyl)-2,4,6(1H,3H,5H)-pyrimidinetrione?
The CAS number of 5-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylidene]-1-(2-methoxyethyl)-2,4,6(1H,3H,5H)-pyrimidinetrione is 866049-50-5.
What is the molecular formula of 5-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylidene]-1-(2-methoxyethyl)-2,4,6(1H,3H,5H)-pyrimidinetrione?
The molecular formula of 5-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylidene]-1-(2-methoxyethyl)-2,4,6(1H,3H,5H)-pyrimidinetrione is C15H13BrN2O6.
What is the molecular weight of 5-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylidene]-1-(2-methoxyethyl)-2,4,6(1H,3H,5H)-pyrimidinetrione?
The molecular weight of 5-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylidene]-1-(2-methoxyethyl)-2,4,6(1H,3H,5H)-pyrimidinetrione is 396.00 g/mol.
Where can I buy 5-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylidene]-1-(2-methoxyethyl)-2,4,6(1H,3H,5H)-pyrimidinetrione?
You can request a quote for 5-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylidene]-1-(2-methoxyethyl)-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 5-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylidene]-1-(2-methoxyethyl)-2,4,6(1H,3H,5H)-pyrimidinetrione?
Yes, KEHONG BIO provides custom synthesis services for 5-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylidene]-1-(2-methoxyethyl)-2,4,6(1H,3H,5H)-pyrimidinetrione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.