TL;DR: (5Z)-5-[[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1-(4-iodophenyl)-1,3-diazinane-2,4,6-trione (CAS 579442-19-6) is a chemical compound with molecular formula C23H17FIN3O3 and molecular weight 529.02985 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5Z)-5-[[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1-(4-iodophenyl)-1,3-diazinane-2,4,6-trione
Also Known As: (5Z)-5-[[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1-(4-iodophenyl)-1,3-diazinane-2,4,6-trione, (5Z)-5-{[1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-6-hydroxy-3-(4-iodophenyl)pyrimidine-2,4(3H,5H)-dione, (Z)-5-((1-(4-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-1-(4-iodophenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
| Molecular Formula | C23H17FIN3O3 |
| Molecular Weight | 529.02985 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 71.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 529.02985 Da |
| Heavy Atoms | 31 |
| Complexity | 759.0 |
| SMILES | CC1=CC(=C(N1C2=CC=C(C=C2)F)C)/C=C\3/C(=O)NC(=O)N(C3=O)C4=CC=C(C=C4)I |
| InChIKey | MLCSWCKEKJTMRN-NDENLUEZSA-N |
The XLogP value of 4.7 indicates that (5Z)-5-[[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1-(4-iodophenyl)-1,3-diazinane-2,4,6-trione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (5Z)-5-[[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1-(4-iodophenyl)-1,3-diazinane-2,4,6-trione. Following Lipinski's Rule of Five, (5Z)-5-[[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1-(4-iodophenyl)-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 (5Z)-5-[[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1-(4-iodophenyl)-1,3-diazinane-2,4,6-trione is 579442-19-6.
The molecular formula of (5Z)-5-[[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1-(4-iodophenyl)-1,3-diazinane-2,4,6-trione is C23H17FIN3O3.
The molecular weight of (5Z)-5-[[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1-(4-iodophenyl)-1,3-diazinane-2,4,6-trione is 529.02985 g/mol.
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