TL;DR: 1-(4,4-Bis(4-fluorophenyl)butyl)-4-(2-hydroxy-3-((methylsulfonyl)phenylamino)propyl)piperazine (CAS 143780-42-1) is a chemical compound with molecular formula C30H37F2N3O3S and molecular weight 557.2524 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[3-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]-2-hydroxypropyl]-N-phenylmethanesulfonamide
Also Known As: 1-(4,4-Bis(4-fluorophenyl)butyl)-4-(2-hydroxy-3-((methylsulfonyl)phenylamino)propyl)piperazine, Methanesulfonamide, N-(3-(4-(4,4-bis(4-fluorophenyl)butyl)-1-piperazinyl)-2-hydroxypropyl)-N-phenyl-, N-(3-{4-[4,4-Bis(4-fluorophenyl)butyl]piperazin-1-yl}-2-hydroxypropyl)-N-phenylmethanesulfonamide, N-[3-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]-2-hydroxypropyl]-N-phenylmethanesulfonamide
| Molecular Formula | C30H37F2N3O3S |
| Molecular Weight | 557.2524 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 72.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 557.2524 Da |
| Heavy Atoms | 39 |
| Complexity | 777.0 |
| SMILES | CS(=O)(=O)N(CC(CN1CCN(CC1)CCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)O)C4=CC=CC=C4 |
| InChIKey | MRWLJDOGZIOXCK-UHFFFAOYSA-N |
The XLogP value of 4.6 indicates that 1-(4,4-Bis(4-fluorophenyl)butyl)-4-(2-hydroxy-3-((methylsulfonyl)phenylamino)propyl)piperazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4,4-Bis(4-fluorophenyl)butyl)-4-(2-hydroxy-3-((methylsulfonyl)phenylamino)propyl)piperazine. Following Lipinski's Rule of Five, 1-(4,4-Bis(4-fluorophenyl)butyl)-4-(2-hydroxy-3-((methylsulfonyl)phenylamino)propyl)piperazine has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1-(4,4-Bis(4-fluorophenyl)butyl)-4-(2-hydroxy-3-((methylsulfonyl)phenylamino)propyl)piperazine is 143780-42-1.
The molecular formula of 1-(4,4-Bis(4-fluorophenyl)butyl)-4-(2-hydroxy-3-((methylsulfonyl)phenylamino)propyl)piperazine is C30H37F2N3O3S.
The molecular weight of 1-(4,4-Bis(4-fluorophenyl)butyl)-4-(2-hydroxy-3-((methylsulfonyl)phenylamino)propyl)piperazine is 557.2524 g/mol.
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