TL;DR: 5-Iodo-2-phenyl-1,3-dioxane (CAS 146651-24-3) is a chemical compound with molecular formula C10H11IO2 and molecular weight 289.98038 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-iodo-2-phenyl-1,3-dioxane
Also Known As: 5-iodo-2-phenyl-1,3-dioxane, 1,3-Dioxane,5-iodo-2-phenyl-,trans-, 1,3-Dioxane,5-iodo-2-phenyl-,cis-(9CI), 1,3-Dioxane,5-iodo-2-phenyl-,trans-(9CI), 1,3-DIOXANE, 5-IODO-2-PHENYL-
| Molecular Formula | C10H11IO2 |
| Molecular Weight | 289.98038 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 289.98038 Da |
| Heavy Atoms | 13 |
| Complexity | 149.0 |
| SMILES | C1C(COC(O1)C2=CC=CC=C2)I |
| InChIKey | SQRMOYRVKLTDOY-UHFFFAOYSA-N |
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Iodo-2-phenyl-1,3-dioxane. With a topological polar surface area (TPSA) of 18.5 Ų, 5-Iodo-2-phenyl-1,3-dioxane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Iodo-2-phenyl-1,3-dioxane has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 5-Iodo-2-phenyl-1,3-dioxane is 146651-24-3.
The molecular formula of 5-Iodo-2-phenyl-1,3-dioxane is C10H11IO2.
The molecular weight of 5-Iodo-2-phenyl-1,3-dioxane is 289.98038 g/mol.
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