![5-[2-(4-Acetyl-piperazin-1-yl)-5-nitro-benzylidene]-pyrimidine-2,4,6-trione structure](/static/products/892/892610-59-2.png)
5-[2-(4-Acetyl-piperazin-1-yl)-5-nitro-benzylidene]-pyrimidine-2,4,6-trione
TL;DR: 5-[2-(4-Acetyl-piperazin-1-yl)-5-nitro-benzylidene]-pyrimidine-2,4,6-trione (CAS 892610-59-2) is a chemical compound with molecular formula C17H17N5O6 and molecular weight 387.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[2-(4-acetylpiperazin-1-yl)-5-nitrophenyl]methylidene]-1,3-diazinane-2,4,6-trione
Also Known As: (5Z)-5-[2-(4-acetylpiperazin-1-yl)-5-nitrobenzylidene]-2,6-dihydroxypyrimidin-4(5H)-one, 5-(2-(4-acetylpiperazin-1-yl)-5-nitrobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione, 5-[[2-(4-acetylpiperazin-1-yl)-5-nitro-phenyl]methylidene]-1,3-diazinane-2,4,6-trione, 5-[[2-(4-acetylpiperazin-1-yl)-5-nitrophenyl]methylidene]-1,3-diazinane-2,4,6-trione, 5-[2-(4-Acetyl-piperazin-1-yl)-5-nitro-benzylidene]-pyrimidine-2,4,6-trione
| Molecular Formula | C17H17N5O6 |
|---|---|
| Molecular Weight | 387.12 g/mol |
| LogP | 0.0127 |
| Topological Polar Surface Area | 141.96 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 387.1179 |
| Heavy Atoms | 28 |
| Complexity | 894.6131 |
Chemical Identifiers
| CAS Number | 892610-59-2 |
|---|---|
| SMILES | CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C=C3C(=O)NC(=O)NC3=O |
Product Overview
5-[2-(4-Acetyl-piperazin-1-yl)-5-nitro-benzylidene]-pyrimidine-2,4,6-trione (CAS 892610-59-2), with molecular formula C17H17N5O6 and molecular weight 387.12 g/mol. IUPAC: 5-[[2-(4-acetylpiperazin-1-yl)-5-nitrophenyl]methylidene]-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 5-[2-(4-Acetyl-piperazin-1-yl)-5-nitro-benzylidene]-pyrimidine-2,4,6-trione
Property Insights of 5-[2-(4-Acetyl-piperazin-1-yl)-5-nitro-benzylidene]-pyrimidine-2,4,6-trione
The XLogP value of 0.0127 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[2-(4-Acetyl-piperazin-1-yl)-5-nitro-benzylidene]-pyrimidine-2,4,6-trione. The TPSA of 141.96 Ų indicates high polarity, suggesting 5-[2-(4-Acetyl-piperazin-1-yl)-5-nitro-benzylidene]-pyrimidine-2,4,6-trione may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-[2-(4-Acetyl-piperazin-1-yl)-5-nitro-benzylidene]-pyrimidine-2,4,6-trione has 2 hydrogen bond donor(s) and 7 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-[2-(4-Acetyl-piperazin-1-yl)-5-nitro-benzylidene]-pyrimidine-2,4,6-trione?
The CAS number of 5-[2-(4-Acetyl-piperazin-1-yl)-5-nitro-benzylidene]-pyrimidine-2,4,6-trione is 892610-59-2.
What is the molecular formula of 5-[2-(4-Acetyl-piperazin-1-yl)-5-nitro-benzylidene]-pyrimidine-2,4,6-trione?
The molecular formula of 5-[2-(4-Acetyl-piperazin-1-yl)-5-nitro-benzylidene]-pyrimidine-2,4,6-trione is C17H17N5O6.
What is the molecular weight of 5-[2-(4-Acetyl-piperazin-1-yl)-5-nitro-benzylidene]-pyrimidine-2,4,6-trione?
The molecular weight of 5-[2-(4-Acetyl-piperazin-1-yl)-5-nitro-benzylidene]-pyrimidine-2,4,6-trione is 387.12 g/mol.
Where can I buy 5-[2-(4-Acetyl-piperazin-1-yl)-5-nitro-benzylidene]-pyrimidine-2,4,6-trione?
You can request a quote for 5-[2-(4-Acetyl-piperazin-1-yl)-5-nitro-benzylidene]-pyrimidine-2,4,6-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[2-(4-Acetyl-piperazin-1-yl)-5-nitro-benzylidene]-pyrimidine-2,4,6-trione?
Yes, KEHONG BIO provides custom synthesis services for 5-[2-(4-Acetyl-piperazin-1-yl)-5-nitro-benzylidene]-pyrimidine-2,4,6-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.