TL;DR: ST 578 (CAS 116680-74-1) is a chemical compound with molecular formula C21H28ClNO4 and molecular weight 393.1707 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-methoxyphenyl)ethanol;hydrochloride
Also Known As: ST 578, 2-((N-2-p-Methoxyphenyl-2-ethanol)amino)-6,7-dimethoxytetraline hydrochloride, Benzenemethanol, 4-methoxy-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-methoxyphenyl)ethan-1-ol--hydrogen chloride (1/1), 2-[(6,7-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl)amino]-1-(4-methoxyphenyl)ethanol hydrochloride
| Molecular Formula | C21H28ClNO4 |
| Molecular Weight | 393.1707 g/mol |
| XLogP | 3.3147 |
| Topological Polar Surface Area (TPSA) | 60.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 393.1707 Da |
| Heavy Atoms | 27 |
| Complexity | 413.0 |
| SMILES | COC1=CC=C(C=C1)C(CNC2CCC3=CC(=C(C=C3C2)OC)OC)O.Cl |
| InChIKey | XSNYYCJALOLXEB-UHFFFAOYSA-N |
The XLogP value of 3.3147 indicates that ST 578 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ST 578. Following Lipinski's Rule of Five, ST 578 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 578 is 116680-74-1.
The molecular formula of ST 578 is C21H28ClNO4.
The molecular weight of ST 578 is 393.1707 g/mol.
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