TL;DR: 3-(1,3-Benzodioxol-5-yl)-8-[(dimethylamino)methyl]-6-ethyl-7-hydroxy-chromone (CAS 171008-70-1) is a chemical compound with molecular formula C21H21NO5 and molecular weight 367.14197 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(1,3-benzodioxol-5-yl)-8-[(dimethylamino)methyl]-6-ethyl-7-hydroxychromen-4-one
Also Known As: 3-(benzo[d][1,3]dioxol-5-yl)-8-((dimethylamino)methyl)-6-ethyl-7-hydroxy-4H-chromen-4-one, 3-(1,3-benzodioxol-5-yl)-8-(dimethylaminomethyl)-6-ethyl-7-hydroxychromen-4-one, 3-(1,3-benzodioxol-5-yl)-8-[(dimethylamino)methyl]-6-ethyl-7-hydroxy-4H-chromen-4-one, 3-benzo[1,3]dioxol-5-yl-8-(dimethylaminomethyl)-6-ethyl-7-hydroxy-chromen-4-one, 3-(1,3-benzodioxol-5-yl)-8-[(dimethylamino)methyl]-6-ethyl-7-hydroxy-1-benzopyran-4-one
| Molecular Formula | C21H21NO5 |
| Molecular Weight | 367.14197 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 68.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 367.14197 Da |
| Heavy Atoms | 27 |
| Complexity | 591.0 |
| SMILES | CCC1=CC2=C(C(=C1O)CN(C)C)OC=C(C2=O)C3=CC4=C(C=C3)OCO4 |
| InChIKey | GYQXMQJFFWCMNS-UHFFFAOYSA-N |
The XLogP value of 3.3 indicates that 3-(1,3-Benzodioxol-5-yl)-8-[(dimethylamino)methyl]-6-ethyl-7-hydroxy-chromone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(1,3-Benzodioxol-5-yl)-8-[(dimethylamino)methyl]-6-ethyl-7-hydroxy-chromone. Following Lipinski's Rule of Five, 3-(1,3-Benzodioxol-5-yl)-8-[(dimethylamino)methyl]-6-ethyl-7-hydroxy-chromone has 1 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-(1,3-Benzodioxol-5-yl)-8-[(dimethylamino)methyl]-6-ethyl-7-hydroxy-chromone is 171008-70-1.
The molecular formula of 3-(1,3-Benzodioxol-5-yl)-8-[(dimethylamino)methyl]-6-ethyl-7-hydroxy-chromone is C21H21NO5.
The molecular weight of 3-(1,3-Benzodioxol-5-yl)-8-[(dimethylamino)methyl]-6-ethyl-7-hydroxy-chromone is 367.14197 g/mol.
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