TL;DR: 6-[(3,4-dimethoxyphenyl)(morpholin-4-yl)methyl]-2H-1,3-benzodioxol-5-ol (CAS 102616-62-6) is a chemical compound with molecular formula C20H23NO6 and molecular weight 373.15253 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-[(3,4-dimethoxyphenyl)-morpholin-4-ylmethyl]-1,3-benzodioxol-5-ol
Also Known As: AS15, J3.209.952A, 6-[(3,4-dimethoxyphenyl)-morpholino-methyl]sesamol, 6-((3,4-Dimethoxyphenyl)(morpholino)methyl)benzo[d][1,3]dioxol-5-ol, 6-[(3,4-dimethoxyphenyl)(morpholin-4-yl)methyl]-2H-1,3-benzodioxol-5-ol
| Molecular Formula | C20H23NO6 |
| Molecular Weight | 373.15253 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 69.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 373.15253 Da |
| Heavy Atoms | 27 |
| Complexity | 473.0 |
| SMILES | COC1=C(C=C(C=C1)C(C2=CC3=C(C=C2O)OCO3)N4CCOCC4)OC |
| InChIKey | POUGOEFZYGQTHG-UHFFFAOYSA-N |
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-[(3,4-dimethoxyphenyl)(morpholin-4-yl)methyl]-2H-1,3-benzodioxol-5-ol. The TPSA of 69.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-[(3,4-dimethoxyphenyl)(morpholin-4-yl)methyl]-2H-1,3-benzodioxol-5-ol. Following Lipinski's Rule of Five, 6-[(3,4-dimethoxyphenyl)(morpholin-4-yl)methyl]-2H-1,3-benzodioxol-5-ol has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 6-[(3,4-dimethoxyphenyl)(morpholin-4-yl)methyl]-2H-1,3-benzodioxol-5-ol is 102616-62-6.
The molecular formula of 6-[(3,4-dimethoxyphenyl)(morpholin-4-yl)methyl]-2H-1,3-benzodioxol-5-ol is C20H23NO6.
The molecular weight of 6-[(3,4-dimethoxyphenyl)(morpholin-4-yl)methyl]-2H-1,3-benzodioxol-5-ol is 373.15253 g/mol.
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