TL;DR: RefChem:340859 (CAS 73927-44-3) is a chemical compound with molecular formula C23H22F3NO2 and molecular weight 401.16028 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[1-[3-(trifluoromethyl)phenyl]propan-2-ylamino]ethyl naphthalene-1-carboxylate
Also Known As: 2-(alpha-Methyl-m-trifluoromethylphenethylamino)ethanol 1-naphthylcarboxylate, Ethanol, 2-(alpha-methyl-m-trifluoromethylphenethylamino)-, 1-naphthylcarboxylate, N-(2-Hydroxyethyl)-alpha-methyl-m-trifluoromethylphenethylamine 1-naphthylcarboxylate, Phenethylamine, N-(2-hydroxyethyl)-alpha-methyl-m-trifluoromethyl-, 1-naphthylcarboxylate, 2-({1-[3-(Trifluoromethyl)phenyl]propan-2-yl}amino)ethyl naphthalene-1-carboxylate
| Molecular Formula | C23H22F3NO2 |
| Molecular Weight | 401.16028 g/mol |
| XLogP | 5.9 |
| Topological Polar Surface Area (TPSA) | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 401.16028 Da |
| Heavy Atoms | 29 |
| Complexity | 525.0 |
| SMILES | CC(CC1=CC(=CC=C1)C(F)(F)F)NCCOC(=O)C2=CC=CC3=CC=CC=C32 |
| InChIKey | KPMUZMZYFUDVBW-UHFFFAOYSA-N |
The XLogP value of 5.9 indicates that RefChem:340859 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, RefChem:340859 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:340859 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of RefChem:340859 is 73927-44-3.
The molecular formula of RefChem:340859 is C23H22F3NO2.
The molecular weight of RefChem:340859 is 401.16028 g/mol.
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