5-(3,5-dibromo-2-propoxybenzylidene)-1-(4-methoxyphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
TL;DR: 5-(3,5-dibromo-2-propoxybenzylidene)-1-(4-methoxyphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione (CAS 355002-30-1) is a chemical compound with molecular formula C21H18Br2N2O5 and molecular weight 535.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[(3,5-dibromo-2-propoxyphenyl)methylidene]-1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione
Also Known As: 5-(3,5-dibromo-2-propoxybenzylidene)-1-(4-methoxyphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione, (5Z)-5-[(3,5-dibromo-2-propoxyphenyl)methylidene]-1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione, 5-[(3,5-DIBROMO-2-PROPOXYPHENYL)METHYLENE]-1-(4-METHOXYPHENYL)-2,4,6(1H,3H)-PYRIMIDINETRIONE
| Molecular Formula | C21H18Br2N2O5 |
|---|---|
| Molecular Weight | 535.96 g/mol |
| LogP | 4.6754 |
| Topological Polar Surface Area | 84.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 535.95825 |
| Heavy Atoms | 30 |
| Complexity | 1034.4374 |
Chemical Identifiers
| CAS Number | 355002-30-1 |
|---|---|
| SMILES | CCCOC1=C(C=C(C=C1Br)Br)/C=C\2/C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)OC |
Product Overview
5-(3,5-dibromo-2-propoxybenzylidene)-1-(4-methoxyphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione (CAS 355002-30-1), with molecular formula C21H18Br2N2O5 and molecular weight 535.96 g/mol. IUPAC: (5Z)-5-[(3,5-dibromo-2-propoxyphenyl)methylidene]-1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 5-(3,5-dibromo-2-propoxybenzylidene)-1-(4-methoxyphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
Property Insights of 5-(3,5-dibromo-2-propoxybenzylidene)-1-(4-methoxyphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
The XLogP value of 4.6754 indicates that 5-(3,5-dibromo-2-propoxybenzylidene)-1-(4-methoxyphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione 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 5-(3,5-dibromo-2-propoxybenzylidene)-1-(4-methoxyphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione. Following Lipinski's Rule of Five, 5-(3,5-dibromo-2-propoxybenzylidene)-1-(4-methoxyphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-(3,5-dibromo-2-propoxybenzylidene)-1-(4-methoxyphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione?
The CAS number of 5-(3,5-dibromo-2-propoxybenzylidene)-1-(4-methoxyphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione is 355002-30-1.
What is the molecular formula of 5-(3,5-dibromo-2-propoxybenzylidene)-1-(4-methoxyphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione?
The molecular formula of 5-(3,5-dibromo-2-propoxybenzylidene)-1-(4-methoxyphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione is C21H18Br2N2O5.
What is the molecular weight of 5-(3,5-dibromo-2-propoxybenzylidene)-1-(4-methoxyphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione?
The molecular weight of 5-(3,5-dibromo-2-propoxybenzylidene)-1-(4-methoxyphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione is 535.96 g/mol.
Where can I buy 5-(3,5-dibromo-2-propoxybenzylidene)-1-(4-methoxyphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione?
You can request a quote for 5-(3,5-dibromo-2-propoxybenzylidene)-1-(4-methoxyphenyl)-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-(3,5-dibromo-2-propoxybenzylidene)-1-(4-methoxyphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione?
Yes, KEHONG BIO provides custom synthesis services for 5-(3,5-dibromo-2-propoxybenzylidene)-1-(4-methoxyphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.