TL;DR: 2H-1-Benzopyran-2-one, 7-methoxy-8-(3-(4-methyl-1-piperazinyl)propoxy)-, dihydrochloride (CAS 148711-85-7) is a chemical compound with molecular formula C18H26Cl2N2O4 and molecular weight 404.12695 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-methoxy-8-[3-(4-methylpiperazin-1-yl)propoxy]chromen-2-one;dihydrochloride
Also Known As: 2H-1-Benzopyran-2-one, 7-methoxy-8-(3-(4-methyl-1-piperazinyl)propoxy)-, dihydrochloride, 2,2'-BIPYRIDYLPALLADIUM DICHLORIDE, 7-Methoxy-8-(3-(4-methyl-1-piperazinyl)propoxy)-2H-1-benzopyran-2-one dihydrochloride, 7-methoxy-8-[3-(4-methylpiperazin-1-yl)propoxy]chromen-2-one;dihydrochloride, 2H-1-Benzopyran-2-one,7-methoxy-8-[3-(4-methyl-1-piperazinyl)propoxy]-, hydrochloride (1:2)
| Molecular Formula | C18H26Cl2N2O4 |
| Molecular Weight | 404.12695 g/mol |
| XLogP | 2.6615 |
| Topological Polar Surface Area (TPSA) | 51.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 404.12695 Da |
| Heavy Atoms | 26 |
| Complexity | 448.0 |
| SMILES | CN1CCN(CC1)CCCOC2=C(C=CC3=C2OC(=O)C=C3)OC.Cl.Cl |
| InChIKey | KVEJXJREEYBBGB-UHFFFAOYSA-N |
The XLogP value of 2.6615 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2H-1-Benzopyran-2-one, 7-methoxy-8-(3-(4-methyl-1-piperazinyl)propoxy)-, dihydrochloride. With a topological polar surface area (TPSA) of 51.2 Ų, 2H-1-Benzopyran-2-one, 7-methoxy-8-(3-(4-methyl-1-piperazinyl)propoxy)-, dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-1-Benzopyran-2-one, 7-methoxy-8-(3-(4-methyl-1-piperazinyl)propoxy)-, dihydrochloride 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 2H-1-Benzopyran-2-one, 7-methoxy-8-(3-(4-methyl-1-piperazinyl)propoxy)-, dihydrochloride is 148711-85-7.
The molecular formula of 2H-1-Benzopyran-2-one, 7-methoxy-8-(3-(4-methyl-1-piperazinyl)propoxy)-, dihydrochloride is C18H26Cl2N2O4.
The molecular weight of 2H-1-Benzopyran-2-one, 7-methoxy-8-(3-(4-methyl-1-piperazinyl)propoxy)-, dihydrochloride is 404.12695 g/mol.
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