TL;DR: Ethanone, 1-(2,4-bis(2-hydroxy-3-(1-piperidinyl)propoxy)phenyl)- (CAS 87049-15-8) is a chemical compound with molecular formula C24H38N2O5 and molecular weight 434.27808 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[2,4-bis(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]ethanone
Also Known As: 1-(2,4-Bis(2-hydroxy-3-(1-piperidinyl)propoxy)phenyl)ethanone, ETHANONE, 1-(2,4-BIS(2-HYDROXY-3-(1-PIPERIDINYL)PROPOXY)PHENYL)-, 1-[2,4-bis(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]ethanone, 1-{2,4-Bis[2-hydroxy-3-(piperidin-1-yl)propoxy]phenyl}ethan-1-one, BRN 4577821
| Molecular Formula | C24H38N2O5 |
| Molecular Weight | 434.27808 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 82.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 434.27808 Da |
| Heavy Atoms | 31 |
| Complexity | 522.0 |
| SMILES | CC(=O)C1=C(C=C(C=C1)OCC(CN2CCCCC2)O)OCC(CN3CCCCC3)O |
| InChIKey | XCVIACYTKZENBI-UHFFFAOYSA-N |
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanone, 1-(2,4-bis(2-hydroxy-3-(1-piperidinyl)propoxy)phenyl)-. The TPSA of 82.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethanone, 1-(2,4-bis(2-hydroxy-3-(1-piperidinyl)propoxy)phenyl)-. Following Lipinski's Rule of Five, Ethanone, 1-(2,4-bis(2-hydroxy-3-(1-piperidinyl)propoxy)phenyl)- has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Ethanone, 1-(2,4-bis(2-hydroxy-3-(1-piperidinyl)propoxy)phenyl)- is 87049-15-8.
The molecular formula of Ethanone, 1-(2,4-bis(2-hydroxy-3-(1-piperidinyl)propoxy)phenyl)- is C24H38N2O5.
The molecular weight of Ethanone, 1-(2,4-bis(2-hydroxy-3-(1-piperidinyl)propoxy)phenyl)- is 434.27808 g/mol.
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