TL;DR: 4-((4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)methyl)-6-methyl-2H-chromen-2-one (CAS 850238-57-2) is a chemical compound with molecular formula C23H24N2O4 and molecular weight 392.1736 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-6-methylchromen-2-one
Also Known As: 4-((4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)methyl)-6-methyl-2H-chromen-2-one, 4-({4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}methyl)-6-methyl-2H-chromen-2-one, F3385-1924, 4-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]methyl]-6-methylchromen-2-one, 4-[[4-(benzo[1,3]dioxol-5-ylmethyl)piperazin-1-yl]methyl]-6-methyl-chromen-2-one
| Molecular Formula | C23H24N2O4 |
| Molecular Weight | 392.1736 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 51.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 392.1736 Da |
| Heavy Atoms | 29 |
| Complexity | 630.0 |
| SMILES | CC1=CC2=C(C=C1)OC(=O)C=C2CN3CCN(CC3)CC4=CC5=C(C=C4)OCO5 |
| InChIKey | KTYKULQYVPOVEG-UHFFFAOYSA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-((4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)methyl)-6-methyl-2H-chromen-2-one. With a topological polar surface area (TPSA) of 51.2 Ų, 4-((4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)methyl)-6-methyl-2H-chromen-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-((4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)methyl)-6-methyl-2H-chromen-2-one has 0 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 4-((4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)methyl)-6-methyl-2H-chromen-2-one is 850238-57-2.
The molecular formula of 4-((4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)methyl)-6-methyl-2H-chromen-2-one is C23H24N2O4.
The molecular weight of 4-((4-(benzo[d][1,3]dioxol-5-ylmethyl)piperazin-1-yl)methyl)-6-methyl-2H-chromen-2-one is 392.1736 g/mol.
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