TL;DR: 1-[[4-[[3-(Trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]indole-2,3-dione (CAS 162584-65-8) is a chemical compound with molecular formula C21H20F3N3O2 and molecular weight 403.15076 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]indole-2,3-dione
Also Known As: 1-[[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]indole-2,3-dione, 1-({4-[3-(trifluoromethyl)benzyl]piperazin-1-yl}methyl)-1H-indole-2,3-dione, 1-({4-[3-(TRIFLUOROMETHYL)BENZYL]PIPERAZINO}METHYL)-1H-INDOLE-2,3-DIONE
| Molecular Formula | C21H20F3N3O2 |
| Molecular Weight | 403.15076 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 43.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 403.15076 Da |
| Heavy Atoms | 29 |
| Complexity | 619.0 |
| SMILES | C1CN(CCN1CC2=CC(=CC=C2)C(F)(F)F)CN3C4=CC=CC=C4C(=O)C3=O |
| InChIKey | FCFSCOGQQUKHHI-UHFFFAOYSA-N |
The XLogP value of 3.2 indicates that 1-[[4-[[3-(Trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]indole-2,3-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.9 Ų, 1-[[4-[[3-(Trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]indole-2,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[[4-[[3-(Trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]indole-2,3-dione 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 1-[[4-[[3-(Trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]indole-2,3-dione is 162584-65-8.
The molecular formula of 1-[[4-[[3-(Trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]indole-2,3-dione is C21H20F3N3O2.
The molecular weight of 1-[[4-[[3-(Trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]indole-2,3-dione is 403.15076 g/mol.
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