TL;DR: 1,3-Bis(4-((4-isocyanatophenyl)methyl)phenyl)-1,3-diazetidine-2,4-dione (CAS 17589-24-1) is a chemical compound with molecular formula C30H20N4O4 and molecular weight 500.14847 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,3-bis[4-[(4-isocyanatophenyl)methyl]phenyl]-1,3-diazetidine-2,4-dione
Also Known As: di-s-butylmagnesium, Benzimidic acid ethyl, KST-1B1066, 1,3-Diazetidine-2,4-dione, 1,3-bis[4-[(4-isocyanatophenyl)methyl]phenyl]-, 1,3-Bis(4-((4-isocyanatophenyl)methyl)phenyl)-1,3-diazetidine-2,4-dione
| Molecular Formula | C30H20N4O4 |
| Molecular Weight | 500.14847 g/mol |
| XLogP | 8.1 |
| Topological Polar Surface Area (TPSA) | 99.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 500.14847 Da |
| Heavy Atoms | 38 |
| Complexity | 834.0 |
| SMILES | C1=CC(=CC=C1CC2=CC=C(C=C2)N3C(=O)N(C3=O)C4=CC=C(C=C4)CC5=CC=C(C=C5)N=C=O)N=C=O |
| InChIKey | ARRNPOPZVLSDGB-UHFFFAOYSA-N |
The XLogP value of 8.1 indicates that 1,3-Bis(4-((4-isocyanatophenyl)methyl)phenyl)-1,3-diazetidine-2,4-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Bis(4-((4-isocyanatophenyl)methyl)phenyl)-1,3-diazetidine-2,4-dione. Following Lipinski's Rule of Five, 1,3-Bis(4-((4-isocyanatophenyl)methyl)phenyl)-1,3-diazetidine-2,4-dione has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1,3-Bis(4-((4-isocyanatophenyl)methyl)phenyl)-1,3-diazetidine-2,4-dione is 17589-24-1.
The molecular formula of 1,3-Bis(4-((4-isocyanatophenyl)methyl)phenyl)-1,3-diazetidine-2,4-dione is C30H20N4O4.
The molecular weight of 1,3-Bis(4-((4-isocyanatophenyl)methyl)phenyl)-1,3-diazetidine-2,4-dione is 500.14847 g/mol.
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