TL;DR: 5-[1-[2-(1H-Indol-3-yl)-ethylamino]-prop-(E)-ylidene]-1-p-tolyl-pyrimidine-2,4,6-trione (CAS 1164470-37-4) is a chemical compound with molecular formula C24H24N4O3 and molecular weight 416.18484 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[C-ethyl-N-[2-(1H-indol-3-yl)ethyl]carbonimidoyl]-6-hydroxy-1-(4-methylphenyl)pyrimidine-2,4-dione
Also Known As: 5-[1-[2-(1H-Indol-3-yl)-ethylamino]-prop-(E)-ylidene]-1-p-tolyl-pyrimidine-2,4,6-trione, (5E)-5-[1-[2-(1H-indol-3-yl)ethylamino]propylidene]-1-(4-methylphenyl)-1,3-diazinane-2,4,6-trione, (5E)-6-hydroxy-5-(1-{[2-(1H-indol-3-yl)ethyl]amino}propylidene)-3-(4-methylphenyl)pyrimidine-2,4(3H,5H)-dione, (E)-5-(1-((2-(1H-indol-3-yl)ethyl)amino)propylidene)-1-(p-tolyl)pyrimidine-2,4,6(1H,3H,5H)-trione, 5-[1-[2-(1H-indol-3-yl)ethylamino]propylidene]-1-(4-methylphenyl)-1,3-diazinane-2,4,6-trione
| Molecular Formula | C24H24N4O3 |
| Molecular Weight | 416.18484 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 97.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 416.18484 Da |
| Heavy Atoms | 31 |
| Complexity | 754.0 |
| SMILES | CCC(=NCCC1=CNC2=CC=CC=C21)C3=C(N(C(=O)NC3=O)C4=CC=C(C=C4)C)O |
| InChIKey | AYHFWUKUYUUCLF-UHFFFAOYSA-N |
The XLogP value of 3.5 indicates that 5-[1-[2-(1H-Indol-3-yl)-ethylamino]-prop-(E)-ylidene]-1-p-tolyl-pyrimidine-2,4,6-trione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[1-[2-(1H-Indol-3-yl)-ethylamino]-prop-(E)-ylidene]-1-p-tolyl-pyrimidine-2,4,6-trione. Following Lipinski's Rule of Five, 5-[1-[2-(1H-Indol-3-yl)-ethylamino]-prop-(E)-ylidene]-1-p-tolyl-pyrimidine-2,4,6-trione has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 5-[1-[2-(1H-Indol-3-yl)-ethylamino]-prop-(E)-ylidene]-1-p-tolyl-pyrimidine-2,4,6-trione is 1164470-37-4.
The molecular formula of 5-[1-[2-(1H-Indol-3-yl)-ethylamino]-prop-(E)-ylidene]-1-p-tolyl-pyrimidine-2,4,6-trione is C24H24N4O3.
The molecular weight of 5-[1-[2-(1H-Indol-3-yl)-ethylamino]-prop-(E)-ylidene]-1-p-tolyl-pyrimidine-2,4,6-trione is 416.18484 g/mol.
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