TL;DR: (2E)-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-9-yl)-3-(4-methoxyphenyl)prop-2-en-1-one (CAS 1383425-81-7) is a chemical compound with molecular formula C22H23NO5 and molecular weight 381.15762 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-1-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-9-yl)-3-(4-methoxyphenyl)prop-2-en-1-one
Also Known As: (2E)-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-9-yl)-3-(4-methoxyphenyl)prop-2-en-1-one, (E)-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinolin-9-yl)-3-(4-methoxyphenyl)prop-2-en-1-one, (E)-1-(4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-9-yl)-3-(4-methoxyphenyl)prop-2-en-1-one
| Molecular Formula | C22H23NO5 |
| Molecular Weight | 381.15762 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 57.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 381.15762 Da |
| Heavy Atoms | 28 |
| Complexity | 573.0 |
| SMILES | CN1CCC2=C(C1)C(=C3C(=C2C(=O)/C=C/C4=CC=C(C=C4)OC)OCO3)OC |
| InChIKey | KPPIIFHTHBRKDR-RMKNXTFCSA-N |
The XLogP value of 3.3 indicates that (2E)-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-9-yl)-3-(4-methoxyphenyl)prop-2-en-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.2 Ų, (2E)-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-9-yl)-3-(4-methoxyphenyl)prop-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2E)-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-9-yl)-3-(4-methoxyphenyl)prop-2-en-1-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 (2E)-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-9-yl)-3-(4-methoxyphenyl)prop-2-en-1-one is 1383425-81-7.
The molecular formula of (2E)-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-9-yl)-3-(4-methoxyphenyl)prop-2-en-1-one is C22H23NO5.
The molecular weight of (2E)-1-(4-methoxy-6-methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-9-yl)-3-(4-methoxyphenyl)prop-2-en-1-one is 381.15762 g/mol.
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