TL;DR: 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-iodophenyl)-4-phenyl- (CAS 130523-78-3) is a chemical compound with molecular formula C17H15IO3 and molecular weight 394.0066 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-iodophenyl)-4-phenyl-2,6,7-trioxabicyclo[2.2.2]octane
Also Known As: 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-iodophenyl)-4-phenyl-, 4-(4-iodophenyl)-1-phenyl-3,5,8-trioxabicyclo[2.2.2]octane, 1-(4-iodophenyl)-4-phenyl-2,6,7-trioxabicyclo[2.2.2]octane
| Molecular Formula | C17H15IO3 |
| Molecular Weight | 394.0066 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 394.0066 Da |
| Heavy Atoms | 21 |
| Complexity | 348.0 |
| SMILES | C1C2(COC(O1)(OC2)C3=CC=C(C=C3)I)C4=CC=CC=C4 |
| InChIKey | QQELGYGFPZSQFX-UHFFFAOYSA-N |
The XLogP value of 3.3 indicates that 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-iodophenyl)-4-phenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.7 Ų, 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-iodophenyl)-4-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-iodophenyl)-4-phenyl- 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 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-iodophenyl)-4-phenyl- is 130523-78-3.
The molecular formula of 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-iodophenyl)-4-phenyl- is C17H15IO3.
The molecular weight of 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-iodophenyl)-4-phenyl- is 394.0066 g/mol.
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