![5-[4-(dimethylamino)-3-nitrobenzylidene]-1-(3,4-dimethylphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione structure](/static/products/384/384356-66-5.png)
5-[4-(dimethylamino)-3-nitrobenzylidene]-1-(3,4-dimethylphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
TL;DR: 5-[4-(dimethylamino)-3-nitrobenzylidene]-1-(3,4-dimethylphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione (CAS 384356-66-5) is a chemical compound with molecular formula C21H20N4O5 and molecular weight 408.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[[4-(dimethylamino)-3-nitrophenyl]methylidene]-1-(3,4-dimethylphenyl)-1,3-diazinane-2,4,6-trione
Also Known As: 5-[4-(dimethylamino)-3-nitrobenzylidene]-1-(3,4-dimethylphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione, (5Z)-5-[[4-(dimethylamino)-3-nitrophenyl]methylidene]-1-(3,4-dimethylphenyl)-1,3-diazinane-2,4,6-trione, (5Z)-5-[4-(dimethylamino)-3-nitrobenzylidene]-3-(3,4-dimethylphenyl)-6-hydroxypyrimidine-2,4(3H,5H)-dione, (5Z)-5-{[4-(DIMETHYLAMINO)-3-NITROPHENYL]METHYLIDENE}-1-(3,4-DIMETHYLPHENYL)-1,3-DIAZINANE-2,4,6-TRIONE, (Z)-5-(4-(dimethylamino)-3-nitrobenzylidene)-1-(3,4-dimethylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
| Molecular Formula | C21H20N4O5 |
|---|---|
| Molecular Weight | 408.14 g/mol |
| LogP | 2.94404 |
| Topological Polar Surface Area | 112.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 408.14337 |
| Heavy Atoms | 30 |
| Complexity | 1120.375 |
Chemical Identifiers
| CAS Number | 384356-66-5 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2C(=O)/C(=C\C3=CC(=C(C=C3)N(C)C)[N+](=O)[O-])/C(=O)NC2=O)C |
Product Overview
5-[4-(dimethylamino)-3-nitrobenzylidene]-1-(3,4-dimethylphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione (CAS 384356-66-5), with molecular formula C21H20N4O5 and molecular weight 408.14 g/mol. IUPAC: (5Z)-5-[[4-(dimethylamino)-3-nitrophenyl]methylidene]-1-(3,4-dimethylphenyl)-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 5-[4-(dimethylamino)-3-nitrobenzylidene]-1-(3,4-dimethylphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
Property Insights of 5-[4-(dimethylamino)-3-nitrobenzylidene]-1-(3,4-dimethylphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
The XLogP value of 2.94404 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[4-(dimethylamino)-3-nitrobenzylidene]-1-(3,4-dimethylphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione. The TPSA of 112.86 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[4-(dimethylamino)-3-nitrobenzylidene]-1-(3,4-dimethylphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione. Following Lipinski's Rule of Five, 5-[4-(dimethylamino)-3-nitrobenzylidene]-1-(3,4-dimethylphenyl)-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-[4-(dimethylamino)-3-nitrobenzylidene]-1-(3,4-dimethylphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione?
The CAS number of 5-[4-(dimethylamino)-3-nitrobenzylidene]-1-(3,4-dimethylphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione is 384356-66-5.
What is the molecular formula of 5-[4-(dimethylamino)-3-nitrobenzylidene]-1-(3,4-dimethylphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione?
The molecular formula of 5-[4-(dimethylamino)-3-nitrobenzylidene]-1-(3,4-dimethylphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione is C21H20N4O5.
What is the molecular weight of 5-[4-(dimethylamino)-3-nitrobenzylidene]-1-(3,4-dimethylphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione?
The molecular weight of 5-[4-(dimethylamino)-3-nitrobenzylidene]-1-(3,4-dimethylphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione is 408.14 g/mol.
Where can I buy 5-[4-(dimethylamino)-3-nitrobenzylidene]-1-(3,4-dimethylphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione?
You can request a quote for 5-[4-(dimethylamino)-3-nitrobenzylidene]-1-(3,4-dimethylphenyl)-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-[4-(dimethylamino)-3-nitrobenzylidene]-1-(3,4-dimethylphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione?
Yes, KEHONG BIO provides custom synthesis services for 5-[4-(dimethylamino)-3-nitrobenzylidene]-1-(3,4-dimethylphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.