TL;DR: Benfluorex, (R)- (CAS 1333167-88-6) is a chemical compound with molecular formula C19H20F3NO2 and molecular weight 351.14462 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]amino]ethyl benzoate
Also Known As: Benfluorex, (R)-, benfluorex, (R)-benfluorex, Ethanol, 2-(((1R)-1-methyl-2-(3-(trifluoromethyl)phenyl)ethyl)amino)-, 1-benzoate, 2-[[(2R)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]amino]ethyl benzoate
| Molecular Formula | C19H20F3NO2 |
| Molecular Weight | 351.14462 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 351.14462 Da |
| Heavy Atoms | 25 |
| Complexity | 408.0 |
| SMILES | C[C@H](CC1=CC(=CC=C1)C(F)(F)F)NCCOC(=O)C2=CC=CC=C2 |
| InChIKey | CJAVTWRYCDNHSM-CQSZACIVSA-N |
The XLogP value of 4.6 indicates that Benfluorex, (R)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, Benfluorex, (R)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benfluorex, (R)- has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Benfluorex, (R)- is 1333167-88-6.
The molecular formula of Benfluorex, (R)- is C19H20F3NO2.
The molecular weight of Benfluorex, (R)- is 351.14462 g/mol.
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