TL;DR: 1-Acridinol, 1,2,3,4-tetrahydro-9-((4,4-bis(4-fluorophenyl)butyl)amino)- (CAS 104628-42-4) is a chemical compound with molecular formula C29H28F2N2O and molecular weight 458.21698 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
9-[4,4-bis(4-fluorophenyl)butylamino]-1,2,3,4-tetrahydroacridin-1-ol
Also Known As: 9-((4,4-Bis(4-fluorophenyl)butyl)amino)-1,2,3,4-tetrahydro-1-acridinol, 1-Acridinol, 1,2,3,4-tetrahydro-9-((4,4-bis(4-fluorophenyl)butyl)amino)-, 9-Amino-1 ,2,3,4-tetrahydroacridin-1-ol deriv. 1n, 9-[4,4-bis(4-fluorophenyl)butylamino]-1,2,3,4-tetrahydroacridin-1-ol, 9-{[4,4-bis(4-fluorophenyl)butyl]amino}-1,2,3,4-tetrahydroacridin-1-ol
| Molecular Formula | C29H28F2N2O |
| Molecular Weight | 458.21698 g/mol |
| XLogP | 6.4 |
| Topological Polar Surface Area (TPSA) | 45.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 458.21698 Da |
| Heavy Atoms | 34 |
| Complexity | 597.0 |
| SMILES | C1CC(C2=C(C3=CC=CC=C3N=C2C1)NCCCC(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F)O |
| InChIKey | WFEGXUFMYIXSFD-UHFFFAOYSA-N |
The XLogP value of 6.4 indicates that 1-Acridinol, 1,2,3,4-tetrahydro-9-((4,4-bis(4-fluorophenyl)butyl)amino)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.2 Ų, 1-Acridinol, 1,2,3,4-tetrahydro-9-((4,4-bis(4-fluorophenyl)butyl)amino)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Acridinol, 1,2,3,4-tetrahydro-9-((4,4-bis(4-fluorophenyl)butyl)amino)- has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1-Acridinol, 1,2,3,4-tetrahydro-9-((4,4-bis(4-fluorophenyl)butyl)amino)- is 104628-42-4.
The molecular formula of 1-Acridinol, 1,2,3,4-tetrahydro-9-((4,4-bis(4-fluorophenyl)butyl)amino)- is C29H28F2N2O.
The molecular weight of 1-Acridinol, 1,2,3,4-tetrahydro-9-((4,4-bis(4-fluorophenyl)butyl)amino)- is 458.21698 g/mol.
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