(E)-5-(2-(4-cinnamylpiperazin-1-yl)-5-nitrobenzylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
TL;DR: (E)-5-(2-(4-cinnamylpiperazin-1-yl)-5-nitrobenzylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione (CAS 892621-75-9) is a chemical compound with molecular formula C26H27N5O5 and molecular weight 489.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-5-[[5-nitro-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]phenyl]methylidene]-1,3-diazinane-2,4,6-trione
Also Known As: (E)-5-(2-(4-cinnamylpiperazin-1-yl)-5-nitrobenzylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione, 1,3-dimethyl-5-(5-nitro-2-{4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}benzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione, 1,3-dimethyl-5-[[5-nitro-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]phenyl]methylidene]-1,3-diazinane-2,4,6-trione
| Molecular Formula | C26H27N5O5 |
|---|---|
| Molecular Weight | 489.20 g/mol |
| LogP | 2.864 |
| Topological Polar Surface Area | 107.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 489.20123 |
| Heavy Atoms | 36 |
| Complexity | 1222.6261 |
Chemical Identifiers
| CAS Number | 892621-75-9 |
|---|---|
| SMILES | CN1C(=O)C(=CC2=C(C=CC(=C2)[N+](=O)[O-])N3CCN(CC3)C/C=C/C4=CC=CC=C4)C(=O)N(C1=O)C |
Product Overview
(E)-5-(2-(4-cinnamylpiperazin-1-yl)-5-nitrobenzylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione (CAS 892621-75-9), with molecular formula C26H27N5O5 and molecular weight 489.20 g/mol. IUPAC: 1,3-dimethyl-5-[[5-nitro-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]phenyl]methylidene]-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of (E)-5-(2-(4-cinnamylpiperazin-1-yl)-5-nitrobenzylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
Property Insights of (E)-5-(2-(4-cinnamylpiperazin-1-yl)-5-nitrobenzylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
The XLogP value of 2.864 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-5-(2-(4-cinnamylpiperazin-1-yl)-5-nitrobenzylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione. The TPSA of 107.31 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-5-(2-(4-cinnamylpiperazin-1-yl)-5-nitrobenzylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione. Following Lipinski's Rule of Five, (E)-5-(2-(4-cinnamylpiperazin-1-yl)-5-nitrobenzylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione has 0 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 (E)-5-(2-(4-cinnamylpiperazin-1-yl)-5-nitrobenzylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione?
The CAS number of (E)-5-(2-(4-cinnamylpiperazin-1-yl)-5-nitrobenzylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione is 892621-75-9.
What is the molecular formula of (E)-5-(2-(4-cinnamylpiperazin-1-yl)-5-nitrobenzylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular formula of (E)-5-(2-(4-cinnamylpiperazin-1-yl)-5-nitrobenzylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione is C26H27N5O5.
What is the molecular weight of (E)-5-(2-(4-cinnamylpiperazin-1-yl)-5-nitrobenzylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular weight of (E)-5-(2-(4-cinnamylpiperazin-1-yl)-5-nitrobenzylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione is 489.20 g/mol.
Where can I buy (E)-5-(2-(4-cinnamylpiperazin-1-yl)-5-nitrobenzylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione?
You can request a quote for (E)-5-(2-(4-cinnamylpiperazin-1-yl)-5-nitrobenzylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-5-(2-(4-cinnamylpiperazin-1-yl)-5-nitrobenzylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione?
Yes, KEHONG BIO provides custom synthesis services for (E)-5-(2-(4-cinnamylpiperazin-1-yl)-5-nitrobenzylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.