TL;DR: 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-iodophenyl)-4-(1-methylcyclopropyl)- (CAS 130523-84-1) is a chemical compound with molecular formula C15H17IO3 and molecular weight 372.02225 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-iodophenyl)-4-(1-methylcyclopropyl)-2,6,7-trioxabicyclo[2.2.2]octane
Also Known As: 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-iodophenyl)-4-(1-methylcyclopropyl)-, 4-(4-iodophenyl)-1-(1-methylcyclopropyl)-3,5,8-trioxabicyclo[2.2.2]octane, 1-(4-Iodophenyl)-4-(1-methylcyclopropyl)-2,6,7-trioxabicyclo[2.2.2]octane
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C15H17IO3 |
| Molecular Weight | 372.02225 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 372.02225 Da |
| Heavy Atoms | 19 |
| Complexity | 347.0 |
| SMILES | CC1(CC1)C23COC(OC2)(OC3)C4=CC=C(C=C4)I |
| InChIKey | FNWKEBFEROVBNA-UHFFFAOYSA-N |
The XLogP value of 3.2 indicates that 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-iodophenyl)-4-(1-methylcyclopropyl)- 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-(1-methylcyclopropyl)- 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-(1-methylcyclopropyl)- 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-(1-methylcyclopropyl)- is 130523-84-1.
The molecular formula of 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-iodophenyl)-4-(1-methylcyclopropyl)- is C15H17IO3.
The molecular weight of 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-iodophenyl)-4-(1-methylcyclopropyl)- is 372.02225 g/mol.
You can request a quote for 2,6,7-Trioxabicyclo(2.2.2)octane, 1-(4-iodophenyl)-4-(1-methylcyclopropyl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
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