TL;DR: 3-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)-6-ethyl-7-methoxychroman-4-one (CAS 136498-43-6) is a chemical compound with molecular formula C20H20O5 and molecular weight 340.13107 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-7-methoxy-2,3-dihydrochromen-4-one
Also Known As: 3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-6-ethyl-7-methoxychroman-4-one, 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-7-methoxy-2,3-dihydro-4H-chromen-4-one, 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-ethyl-7-methoxy-2,3-dihydrochromen-4-one
| Molecular Formula | C20H20O5 |
| Molecular Weight | 340.13107 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 54.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 340.13107 Da |
| Heavy Atoms | 25 |
| Complexity | 481.0 |
| SMILES | CCC1=CC2=C(C=C1OC)OCC(C2=O)C3=CC4=C(C=C3)OCCO4 |
| InChIKey | SLQURPJPMAHPRX-UHFFFAOYSA-N |
The XLogP value of 3.6 indicates that 3-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)-6-ethyl-7-methoxychroman-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.0 Ų, 3-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)-6-ethyl-7-methoxychroman-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)-6-ethyl-7-methoxychroman-4-one has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)-6-ethyl-7-methoxychroman-4-one is 136498-43-6.
The molecular formula of 3-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)-6-ethyl-7-methoxychroman-4-one is C20H20O5.
The molecular weight of 3-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)-6-ethyl-7-methoxychroman-4-one is 340.13107 g/mol.
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