TL;DR: Ethanone, 1-(2,4-bis(3-(4-phenyl-1-piperazinyl)propoxy)phenyl)- (CAS 87049-00-1) is a chemical compound with molecular formula C34H44N4O3 and molecular weight 556.3414 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[2,4-bis[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]ethanone
Also Known As: ETHANONE, 1-(2,4-BIS(3-(4-PHENYL-1-PIPERAZINYL)PROPOXY)PHENYL)-, 1-(2,4-Bis(3-(4-phenyl-1-piperazinyl)propoxy)phenyl)ethanone, 1-[2,4-bis[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]ethanone, 1-{2,4-Bis[3-(4-phenylpiperazin-1-yl)propoxy]phenyl}ethan-1-one, BRN 4615748
| Molecular Formula | C34H44N4O3 |
| Molecular Weight | 556.3414 g/mol |
| XLogP | 5.5 |
| Topological Polar Surface Area (TPSA) | 48.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 13 |
| Exact Mass | 556.3414 Da |
| Heavy Atoms | 41 |
| Complexity | 740.0 |
| SMILES | CC(=O)C1=C(C=C(C=C1)OCCCN2CCN(CC2)C3=CC=CC=C3)OCCCN4CCN(CC4)C5=CC=CC=C5 |
| InChIKey | QSFJDODKZHIOJM-UHFFFAOYSA-N |
The XLogP value of 5.5 indicates that Ethanone, 1-(2,4-bis(3-(4-phenyl-1-piperazinyl)propoxy)phenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.5 Ų, Ethanone, 1-(2,4-bis(3-(4-phenyl-1-piperazinyl)propoxy)phenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethanone, 1-(2,4-bis(3-(4-phenyl-1-piperazinyl)propoxy)phenyl)- has 0 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-phenyl-1-piperazinyl)propoxy)phenyl)- is 87049-00-1.
The molecular formula of Ethanone, 1-(2,4-bis(3-(4-phenyl-1-piperazinyl)propoxy)phenyl)- is C34H44N4O3.
The molecular weight of Ethanone, 1-(2,4-bis(3-(4-phenyl-1-piperazinyl)propoxy)phenyl)- is 556.3414 g/mol.
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