TL;DR: 3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-2-ethyl-4-oxo-4H-chromen-7-yl propionate (CAS 159647-57-1) is a chemical compound with molecular formula C22H20O6 and molecular weight 380.12598 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)-2-ethyl-4-oxochromen-7-yl] propanoate
Also Known As: 3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-2-ethyl-4-oxo-4H-chromen-7-yl propionate, 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethyl-4-oxo-4H-chromen-7-yl propanoate, F0196-0342, [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethyl-4-oxochromen-7-yl] propanoate, Propionic acid 3-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-2-ethyl-4-oxo-4H-chromen-7-yl ester
| Molecular Formula | C22H20O6 |
| Molecular Weight | 380.12598 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 380.12598 Da |
| Heavy Atoms | 28 |
| Complexity | 641.0 |
| SMILES | CCC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)CC)C3=CC4=C(C=C3)OCCO4 |
| InChIKey | CVWFQHYNUMSCOI-UHFFFAOYSA-N |
The XLogP value of 3.9 indicates that 3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-2-ethyl-4-oxo-4H-chromen-7-yl propionate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-2-ethyl-4-oxo-4H-chromen-7-yl propionate. Following Lipinski's Rule of Five, 3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-2-ethyl-4-oxo-4H-chromen-7-yl propionate 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 3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-2-ethyl-4-oxo-4H-chromen-7-yl propionate is 159647-57-1.
The molecular formula of 3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-2-ethyl-4-oxo-4H-chromen-7-yl propionate is C22H20O6.
The molecular weight of 3-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-2-ethyl-4-oxo-4H-chromen-7-yl propionate is 380.12598 g/mol.
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