TL;DR: 2,2-Dimethyl-5-(2,3,4-trimethoxybenzylidene)-1,3-dioxane-4,6-dione (CAS 152821-16-4) is a chemical compound with molecular formula C16H18O7 and molecular weight 322.10526 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,2-dimethyl-5-[(2,3,4-trimethoxyphenyl)methylidene]-1,3-dioxane-4,6-dione
Also Known As: J2.514.664F, 2,2-dimethyl-5-(2,3,4-trimethoxybenzylidene)-1,3-dioxane-4,6-dione, 2,2-dimethyl-5-[(2,3,4-trimethoxyphenyl)methylidene]-1,3-dioxane-4,6-dione, 2,2-dimethyl-5-[(2,3,4-trimethoxyphenyl)methylene]-1,3-dioxane-4,6-dione, 1,3-Dioxane-4,6-dione, 2,2-dimethyl-5-[(2,3,4-trimethoxyphenyl)methylene]-
| Molecular Formula | C16H18O7 |
| Molecular Weight | 322.10526 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 80.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 322.10526 Da |
| Heavy Atoms | 23 |
| Complexity | 475.0 |
| SMILES | CC1(OC(=O)C(=CC2=C(C(=C(C=C2)OC)OC)OC)C(=O)O1)C |
| InChIKey | YKRQNGHPSCILLN-UHFFFAOYSA-N |
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Dimethyl-5-(2,3,4-trimethoxybenzylidene)-1,3-dioxane-4,6-dione. The TPSA of 80.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2-Dimethyl-5-(2,3,4-trimethoxybenzylidene)-1,3-dioxane-4,6-dione. Following Lipinski's Rule of Five, 2,2-Dimethyl-5-(2,3,4-trimethoxybenzylidene)-1,3-dioxane-4,6-dione has 0 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 2,2-Dimethyl-5-(2,3,4-trimethoxybenzylidene)-1,3-dioxane-4,6-dione is 152821-16-4.
The molecular formula of 2,2-Dimethyl-5-(2,3,4-trimethoxybenzylidene)-1,3-dioxane-4,6-dione is C16H18O7.
The molecular weight of 2,2-Dimethyl-5-(2,3,4-trimethoxybenzylidene)-1,3-dioxane-4,6-dione is 322.10526 g/mol.
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