TL;DR: F1125-0052 (CAS 1052525-57-1) is a chemical compound with molecular formula C20H33ClN2O4 and molecular weight 400.2129 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-[3-(2-butan-2-ylphenoxy)-2-hydroxypropyl]piperazine-1-carboxylate;hydrochloride
Also Known As: F1125-0052, ethyl 4-(3-(2-(sec-butyl)phenoxy)-2-hydroxypropyl)piperazine-1-carboxylate hydrochloride, ethyl 4-[3-(2-butan-2-ylphenoxy)-2-hydroxypropyl]piperazine-1-carboxylate hydrochloride, ethyl 4-[3-(2-butan-2-ylphenoxy)-2-hydroxypropyl]piperazine-1-carboxylate;hydrochloride
| Molecular Formula | C20H33ClN2O4 |
| Molecular Weight | 400.2129 g/mol |
| XLogP | 3.1357 |
| Topological Polar Surface Area (TPSA) | 62.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 400.2129 Da |
| Heavy Atoms | 27 |
| Complexity | 413.0 |
| SMILES | CCC(C)C1=CC=CC=C1OCC(CN2CCN(CC2)C(=O)OCC)O.Cl |
| InChIKey | XTURKZLTEOJXAP-UHFFFAOYSA-N |
The XLogP value of 3.1357 indicates that F1125-0052 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.2 Ų falls within the moderate polarity range, balancing permeability and solubility for F1125-0052. Following Lipinski's Rule of Five, F1125-0052 has 2 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 F1125-0052 is 1052525-57-1.
The molecular formula of F1125-0052 is C20H33ClN2O4.
The molecular weight of F1125-0052 is 400.2129 g/mol.
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