TL;DR: Ethanone, 1-(2,6-bis(3-(3,6-dihydr0-4-phenyl-1(2H)-pyridinyl)propoxy)phenyl)- (CAS 87049-08-9) is a chemical compound with molecular formula C36H42N2O3 and molecular weight 550.3195 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[2,6-bis[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propoxy]phenyl]ethanone
Also Known As: 1-(2,6-Bis(3-(3,6-dihydro-4-phenyl-1(2H)-pyridinyl)propoxy)phenyl)ethanone, ETHANONE, 1-(2,6-BIS(3-(3,6-DIHYDR0-4-PHENYL-1(2H)-PYRIDINYL)PROPOXY)PHENYL)-, 1-[2,6-bis[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propoxy]phenyl]ethanone, 1-{2,6-Bis[3-(4-phenyl-3,6-dihydropyridin-1(2H)-yl)propoxy]phenyl}ethan-1-one, BRN 4614850
| Molecular Formula | C36H42N2O3 |
| Molecular Weight | 550.3195 g/mol |
| XLogP | 6.1 |
| Topological Polar Surface Area (TPSA) | 42.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 13 |
| Exact Mass | 550.3195 Da |
| Heavy Atoms | 41 |
| Complexity | 795.0 |
| SMILES | CC(=O)C1=C(C=CC=C1OCCCN2CCC(=CC2)C3=CC=CC=C3)OCCCN4CCC(=CC4)C5=CC=CC=C5 |
| InChIKey | NYJGLZFGGNNKPF-UHFFFAOYSA-N |
The XLogP value of 6.1 indicates that Ethanone, 1-(2,6-bis(3-(3,6-dihydr0-4-phenyl-1(2H)-pyridinyl)propoxy)phenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.0 Ų, Ethanone, 1-(2,6-bis(3-(3,6-dihydr0-4-phenyl-1(2H)-pyridinyl)propoxy)phenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethanone, 1-(2,6-bis(3-(3,6-dihydr0-4-phenyl-1(2H)-pyridinyl)propoxy)phenyl)- has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Ethanone, 1-(2,6-bis(3-(3,6-dihydr0-4-phenyl-1(2H)-pyridinyl)propoxy)phenyl)- is 87049-08-9.
The molecular formula of Ethanone, 1-(2,6-bis(3-(3,6-dihydr0-4-phenyl-1(2H)-pyridinyl)propoxy)phenyl)- is C36H42N2O3.
The molecular weight of Ethanone, 1-(2,6-bis(3-(3,6-dihydr0-4-phenyl-1(2H)-pyridinyl)propoxy)phenyl)- is 550.3195 g/mol.
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