TL;DR: Ethanone, 1-(2,4-bis(3-(4-hydroxy-4-phenyl-1-piperidinyl)propoxy)phenyl)- (CAS 87049-03-4) is a chemical compound with molecular formula C36H46N2O5 and molecular weight 586.3407 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[2,4-bis[3-(4-hydroxy-4-phenylpiperidin-1-yl)propoxy]phenyl]ethanone
Also Known As: ETHANONE, 1-(2,4-BIS(3-(4-HYDROXY-4-PHENYL-1-PIPERIDINYL)PROPOXY)PHENYL)-, 1-(2,4-Bis(3-(4-hydroxy-4-phenyl-1-piperidinyl)propoxy)phenyl)ethanone, 1-[2,4-bis[3-(4-hydroxy-4-phenylpiperidin-1-yl)propoxy]phenyl]ethanone, 1-{2,4-Bis[3-(4-hydroxy-4-phenylpiperidin-1-yl)propoxy]phenyl}ethan-1-one, BRN 4623395
| Molecular Formula | C36H46N2O5 |
| Molecular Weight | 586.3407 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 82.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 13 |
| Exact Mass | 586.3407 Da |
| Heavy Atoms | 43 |
| Complexity | 825.0 |
| SMILES | CC(=O)C1=C(C=C(C=C1)OCCCN2CCC(CC2)(C3=CC=CC=C3)O)OCCCN4CCC(CC4)(C5=CC=CC=C5)O |
| InChIKey | AOVMBHFYVWFPEG-UHFFFAOYSA-N |
The XLogP value of 4.6 indicates that Ethanone, 1-(2,4-bis(3-(4-hydroxy-4-phenyl-1-piperidinyl)propoxy)phenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethanone, 1-(2,4-bis(3-(4-hydroxy-4-phenyl-1-piperidinyl)propoxy)phenyl)-. Following Lipinski's Rule of Five, Ethanone, 1-(2,4-bis(3-(4-hydroxy-4-phenyl-1-piperidinyl)propoxy)phenyl)- has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Ethanone, 1-(2,4-bis(3-(4-hydroxy-4-phenyl-1-piperidinyl)propoxy)phenyl)- is 87049-03-4.
The molecular formula of Ethanone, 1-(2,4-bis(3-(4-hydroxy-4-phenyl-1-piperidinyl)propoxy)phenyl)- is C36H46N2O5.
The molecular weight of Ethanone, 1-(2,4-bis(3-(4-hydroxy-4-phenyl-1-piperidinyl)propoxy)phenyl)- is 586.3407 g/mol.
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