TL;DR: Ethanone, 1-(2,5-bis(3-(4-methyl-1-piperazinyl)propoxy)phenyl)- (CAS 87048-98-4) is a chemical compound with molecular formula C24H40N4O3 and molecular weight 432.31003 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[2,5-bis[3-(4-methylpiperazin-1-yl)propoxy]phenyl]ethanone
Also Known As: ETHANONE, 1-(2,5-BIS(3-(4-METHYL-1-PIPERAZINYL)PROPOXY)PHENYL)-, 1-(2,5-Bis(3-(4-methyl-1-piperazinyl)propoxy)phenyl)ethanone, 1-[2,5-bis[3-(4-methylpiperazin-1-yl)propoxy]phenyl]ethanone, 1-{2,5-Bis[3-(4-methylpiperazin-1-yl)propoxy]phenyl}ethan-1-one, BRN 4577844
| Molecular Formula | C24H40N4O3 |
| Molecular Weight | 432.31003 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 48.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 432.31003 Da |
| Heavy Atoms | 31 |
| Complexity | 519.0 |
| SMILES | CC(=O)C1=C(C=CC(=C1)OCCCN2CCN(CC2)C)OCCCN3CCN(CC3)C |
| InChIKey | WDETWRQQTJNGQY-UHFFFAOYSA-N |
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanone, 1-(2,5-bis(3-(4-methyl-1-piperazinyl)propoxy)phenyl)-. With a topological polar surface area (TPSA) of 48.5 Ų, Ethanone, 1-(2,5-bis(3-(4-methyl-1-piperazinyl)propoxy)phenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethanone, 1-(2,5-bis(3-(4-methyl-1-piperazinyl)propoxy)phenyl)- has 0 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-(2,5-bis(3-(4-methyl-1-piperazinyl)propoxy)phenyl)- is 87048-98-4.
The molecular formula of Ethanone, 1-(2,5-bis(3-(4-methyl-1-piperazinyl)propoxy)phenyl)- is C24H40N4O3.
The molecular weight of Ethanone, 1-(2,5-bis(3-(4-methyl-1-piperazinyl)propoxy)phenyl)- is 432.31003 g/mol.
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