TL;DR: (5E)-5-[(1-benzyl-3,4-dihydro-2H-quinolin-6-yl)methylidene]-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione (CAS 1164522-23-9) is a chemical compound with molecular formula C28H25N3O3 and molecular weight 451.1896 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5E)-5-[(1-benzyl-3,4-dihydro-2H-quinolin-6-yl)methylidene]-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione
Also Known As: (5E)-5-[(1-benzyl-3,4-dihydro-2H-quinolin-6-yl)methylidene]-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione, 5-[1-(1-Benzyl-1,2,3,4-tetrahydro-quinolin-6-yl)-meth-(E)-ylidene]-1-o-tolyl-pyrimidine-2,4,6-trione, (5E)-5-[(1-benzyl-3,4-dihydro-2H-quinolin-6-yl)methylene]-1-(o-tolyl)barbituric acid, (5E)-1-(2-methylphenyl)-5-[[1-(phenylmethyl)-3,4-dihydro-2H-quinolin-6-yl]methylidene]-1,3-diazinane-2,4,6-trione, (5E)-5-[(1-benzyl-1,2,3,4-tetrahydroquinolin-6-yl)methylidene]-6-hydroxy-3-(2-methylphenyl)pyrimidine-2,4(3H,5H)-dione
| Molecular Formula | C28H25N3O3 |
| Molecular Weight | 451.1896 g/mol |
| XLogP | 5.1 |
| Topological Polar Surface Area (TPSA) | 69.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 451.1896 Da |
| Heavy Atoms | 34 |
| Complexity | 818.0 |
| SMILES | CC1=CC=CC=C1N2C(=O)/C(=C/C3=CC4=C(C=C3)N(CCC4)CC5=CC=CC=C5)/C(=O)NC2=O |
| InChIKey | QGPFSAWVISDZSY-HAVVHWLPSA-N |
The XLogP value of 5.1 indicates that (5E)-5-[(1-benzyl-3,4-dihydro-2H-quinolin-6-yl)methylidene]-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for (5E)-5-[(1-benzyl-3,4-dihydro-2H-quinolin-6-yl)methylidene]-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione. Following Lipinski's Rule of Five, (5E)-5-[(1-benzyl-3,4-dihydro-2H-quinolin-6-yl)methylidene]-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of (5E)-5-[(1-benzyl-3,4-dihydro-2H-quinolin-6-yl)methylidene]-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione is 1164522-23-9.
The molecular formula of (5E)-5-[(1-benzyl-3,4-dihydro-2H-quinolin-6-yl)methylidene]-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione is C28H25N3O3.
The molecular weight of (5E)-5-[(1-benzyl-3,4-dihydro-2H-quinolin-6-yl)methylidene]-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione is 451.1896 g/mol.
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