TL;DR: 2-Hexyl-2,3,5,5-tetramethyl-4-(3-iodo-2-oxopropylidene)imidazolidine-1-oxyl (CAS 104653-17-0) is a chemical compound with molecular formula C16H28IN2O2 and molecular weight 407.11954 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
Also Known As: 2-Htipio, 11-pyren-1-yloxyundecanoic acid, (1E)-1-(2-hexan-2-yl-1-, 6-trimethylsilylbicyclo[4.1.0]heptan-4-one, 2-Hexyl-2,3,5,5-tetramethyl-4-(3-iodo-2-oxopropylidene)imidazolidine-1-oxyl
| Molecular Formula | C16H28IN2O2 |
| Molecular Weight | 407.11954 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 24.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 407.11954 Da |
| Heavy Atoms | 21 |
| Complexity | 423.0 |
| SMILES | CCCCC(C)C1(N(/C(=C/C(=O)CI)/C(N1[O])(C)C)C)C |
| InChIKey | NRNSZNMBFMLTRK-GXDHUFHOSA-N |
The XLogP value of 3.8 indicates that 2-Hexyl-2,3,5,5-tetramethyl-4-(3-iodo-2-oxopropylidene)imidazolidine-1-oxyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.6 Ų, 2-Hexyl-2,3,5,5-tetramethyl-4-(3-iodo-2-oxopropylidene)imidazolidine-1-oxyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Hexyl-2,3,5,5-tetramethyl-4-(3-iodo-2-oxopropylidene)imidazolidine-1-oxyl has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-Hexyl-2,3,5,5-tetramethyl-4-(3-iodo-2-oxopropylidene)imidazolidine-1-oxyl is 104653-17-0.
The molecular formula of 2-Hexyl-2,3,5,5-tetramethyl-4-(3-iodo-2-oxopropylidene)imidazolidine-1-oxyl is C16H28IN2O2.
The molecular weight of 2-Hexyl-2,3,5,5-tetramethyl-4-(3-iodo-2-oxopropylidene)imidazolidine-1-oxyl is 407.11954 g/mol.
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