TL;DR: Phosphine oxide, diphenyl((alpha-(2-piperidino)ethyl)benzyl)- (CAS 51713-16-7) is a chemical compound with molecular formula C26H30NOP and molecular weight 403.2065 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(3-diphenylphosphoryl-3-phenylpropyl)piperidine
Also Known As: KST-1B4862, 1-[3-(diphenylphosphoryl)-3-phenylpropyl]piperidine, 1-(1-Phenyl-3-piperidinopropyl)diphenylphosphine oxide, Phosphine oxide, diphenyl((1-phenyl-3-piperidino)propyl)-, 1-(3-diphenylphosphoryl-3-phenylpropyl)piperidine
| Molecular Formula | C26H30NOP |
| Molecular Weight | 403.2065 g/mol |
| XLogP | 5.3 |
| Topological Polar Surface Area (TPSA) | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 403.2065 Da |
| Heavy Atoms | 29 |
| Complexity | 489.0 |
| SMILES | C1CCN(CC1)CCC(C2=CC=CC=C2)P(=O)(C3=CC=CC=C3)C4=CC=CC=C4 |
| InChIKey | RSZZRMNMNCTTKP-UHFFFAOYSA-N |
The XLogP value of 5.3 indicates that Phosphine oxide, diphenyl((alpha-(2-piperidino)ethyl)benzyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.3 Ų, Phosphine oxide, diphenyl((alpha-(2-piperidino)ethyl)benzyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphine oxide, diphenyl((alpha-(2-piperidino)ethyl)benzyl)- has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Phosphine oxide, diphenyl((alpha-(2-piperidino)ethyl)benzyl)- is 51713-16-7.
The molecular formula of Phosphine oxide, diphenyl((alpha-(2-piperidino)ethyl)benzyl)- is C26H30NOP.
The molecular weight of Phosphine oxide, diphenyl((alpha-(2-piperidino)ethyl)benzyl)- is 403.2065 g/mol.
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