TL;DR: ST 593 (CAS 116680-78-5) is a chemical compound with molecular formula C20H25ClFNO3 and molecular weight 381.1507 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-1-(4-fluorophenyl)ethanol;hydrochloride
Also Known As: ST 593, 2-((N-2-p-Fluorophenyl-2-ethanol)amino)-6,7-dimethoxytetraline hydrochloride, Benzenemethanol, 4-fluoro-alpha-(((1,2,3,4-tetrahydro-6,7-dimethoxy-2-naphthalenyl)amino)methyl)-, hydrochloride, 2-[(6,7-Dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-1-(4-fluorophenyl)ethan-1-ol--hydrogen chloride (1/1), 2-[(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-1-(4-fluorophenyl)ethanol hydrochloride
| Molecular Formula | C20H25ClFNO3 |
| Molecular Weight | 381.1507 g/mol |
| XLogP | 3.4452 |
| Topological Polar Surface Area (TPSA) | 50.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 381.1507 Da |
| Heavy Atoms | 26 |
| Complexity | 402.0 |
| SMILES | COC1=C(C=C2CC(CCC2=C1)NCC(C3=CC=C(C=C3)F)O)OC.Cl |
| InChIKey | CSPBBOFEHXKDKX-UHFFFAOYSA-N |
The XLogP value of 3.4452 indicates that ST 593 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.7 Ų, ST 593 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ST 593 has 3 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of ST 593 is 116680-78-5.
The molecular formula of ST 593 is C20H25ClFNO3.
The molecular weight of ST 593 is 381.1507 g/mol.
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