TL;DR: Silane, ((4-(4-(4-fluorophenyl)-2,6,7-trioxabicyclo(2.2.2)oct-1-yl)phenyl)ethynyl)trimethyl- (CAS 131505-62-9) is a chemical compound with molecular formula C22H23FO3Si and molecular weight 382.14005 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[4-[4-(4-fluorophenyl)-2,6,7-trioxabicyclo[2.2.2]octan-1-yl]phenyl]ethynyl-trimethylsilane
Also Known As: Silane, ((4-(4-(4-fluorophenyl)-2,6,7-trioxabicyclo(2.2.2)oct-1-yl)phenyl)ethynyl)trimethyl-, ((4-(4-(4-Fluorophenyl)-2,6,7-trioxabicyclo(2.2.2)oct-1-yl)phenyl)ethynyl)trimethylsilane, ({4-[4-(4-Fluorophenyl)-2,6,7-trioxabicyclo[2.2.2]octan-1-yl]phenyl}ethynyl)tri(methyl)silane, 2-[4-[1-(4-fluorophenyl)-3,5,8-trioxabicyclo[2.2.2]octan-4-yl]phenyl]ethynyl-trimethylsilane
| Molecular Formula | C22H23FO3Si |
| Molecular Weight | 382.14005 g/mol |
| XLogP | 4.1799 |
| Topological Polar Surface Area (TPSA) | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 382.14005 Da |
| Heavy Atoms | 27 |
| Complexity | 575.0 |
| SMILES | C[Si](C)(C)C#CC1=CC=C(C=C1)C23OCC(CO2)(CO3)C4=CC=C(C=C4)F |
| InChIKey | PUWWALUDNDSLAJ-UHFFFAOYSA-N |
The XLogP value of 4.1799 indicates that Silane, ((4-(4-(4-fluorophenyl)-2,6,7-trioxabicyclo(2.2.2)oct-1-yl)phenyl)ethynyl)trimethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.7 Ų, Silane, ((4-(4-(4-fluorophenyl)-2,6,7-trioxabicyclo(2.2.2)oct-1-yl)phenyl)ethynyl)trimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Silane, ((4-(4-(4-fluorophenyl)-2,6,7-trioxabicyclo(2.2.2)oct-1-yl)phenyl)ethynyl)trimethyl- has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Silane, ((4-(4-(4-fluorophenyl)-2,6,7-trioxabicyclo(2.2.2)oct-1-yl)phenyl)ethynyl)trimethyl- is 131505-62-9.
The molecular formula of Silane, ((4-(4-(4-fluorophenyl)-2,6,7-trioxabicyclo(2.2.2)oct-1-yl)phenyl)ethynyl)trimethyl- is C22H23FO3Si.
The molecular weight of Silane, ((4-(4-(4-fluorophenyl)-2,6,7-trioxabicyclo(2.2.2)oct-1-yl)phenyl)ethynyl)trimethyl- is 382.14005 g/mol.
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