TL;DR: F1681-0035 (CAS 1052406-04-8) is a chemical compound with molecular formula C22H30Cl2N2O4 and molecular weight 456.15826 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[2-[2-hydroxy-3-[4-(4-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]ethanone;dihydrochloride
Also Known As: F1681-0035, 1-(2-{2-hydroxy-3-[4-(4-methoxyphenyl)piperazin-1-yl]propoxy}phenyl)ethan-1-one dihydrochloride, 1-(2-(2-hydroxy-3-(4-(4-methoxyphenyl)piperazin-1-yl)propoxy)phenyl)ethanone dihydrochloride, 1-[2-[2-hydroxy-3-[4-(4-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]ethanone Dihydrochloride, 1-[2-[2-hydroxy-3-[4-(4-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]ethanone;dihydrochloride
| Molecular Formula | C22H30Cl2N2O4 |
| Molecular Weight | 456.15826 g/mol |
| XLogP | 3.3033 |
| Topological Polar Surface Area (TPSA) | 62.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 456.15826 Da |
| Heavy Atoms | 30 |
| Complexity | 473.0 |
| SMILES | CC(=O)C1=CC=CC=C1OCC(CN2CCN(CC2)C3=CC=C(C=C3)OC)O.Cl.Cl |
| InChIKey | RCWURZOAVQFUOS-UHFFFAOYSA-N |
The XLogP value of 3.3033 indicates that F1681-0035 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 F1681-0035. Following Lipinski's Rule of Five, F1681-0035 has 3 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 F1681-0035 is 1052406-04-8.
The molecular formula of F1681-0035 is C22H30Cl2N2O4.
The molecular weight of F1681-0035 is 456.15826 g/mol.
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