TL;DR: 2-(6-chloro-4H-benzo[d][1,3]dioxin-8-yl)-6-methyl-4H-chromen-4-one (CAS 147723-17-9) is a chemical compound with molecular formula C18H13ClO4 and molecular weight 328.05023 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(6-chloro-4H-1,3-benzodioxin-8-yl)-6-methylchromen-4-one
Also Known As: 2-(6-chloro-4H-1,3-benzodioxin-8-yl)-6-methylchromen-4-one, 2-(6-chloro-4H-benzo[d][1,3]dioxin-8-yl)-6-methyl-4H-chromen-4-one, 2-(6-chloro-4H-1,3-benzodioxin-8-yl)-6-methyl-4H-chromen-4-one, 2-(6-chloro(2H,4H-benzo[e]1,3-dioxan-8-yl))-6-methylchromen-4-one
| Molecular Formula | C18H13ClO4 |
| Molecular Weight | 328.05023 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 328.05023 Da |
| Heavy Atoms | 23 |
| Complexity | 505.0 |
| SMILES | CC1=CC2=C(C=C1)OC(=CC2=O)C3=CC(=CC4=C3OCOC4)Cl |
| InChIKey | CVRAPDYUWARLSZ-UHFFFAOYSA-N |
The XLogP value of 3.7 indicates that 2-(6-chloro-4H-benzo[d][1,3]dioxin-8-yl)-6-methyl-4H-chromen-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.8 Ų, 2-(6-chloro-4H-benzo[d][1,3]dioxin-8-yl)-6-methyl-4H-chromen-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(6-chloro-4H-benzo[d][1,3]dioxin-8-yl)-6-methyl-4H-chromen-4-one has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-(6-chloro-4H-benzo[d][1,3]dioxin-8-yl)-6-methyl-4H-chromen-4-one is 147723-17-9.
The molecular formula of 2-(6-chloro-4H-benzo[d][1,3]dioxin-8-yl)-6-methyl-4H-chromen-4-one is C18H13ClO4.
The molecular weight of 2-(6-chloro-4H-benzo[d][1,3]dioxin-8-yl)-6-methyl-4H-chromen-4-one is 328.05023 g/mol.
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