TL;DR: 2-(3,4-Dimethoxybenzyl)isoindoline-1,3-dione (CAS 155514-73-1) is a chemical compound with molecular formula C17H15NO4 and molecular weight 297.1001 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(3,4-dimethoxyphenyl)methyl]isoindole-1,3-dione
Also Known As: MixCom2_000233, 2-(3,4-Dimethoxybenzyl)isoindoline-1,3-dione, 2-[(3,4-dimethoxyphenyl)methyl]isoindole-1,3-dione, 1-phthalimido-1-(3',4'-dimethoxyphenyl)methane, 2-(3,4-Dimethoxy-benzyl)-isoindole-1,3-dione
| Molecular Formula | C17H15NO4 |
| Molecular Weight | 297.1001 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 55.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 297.1001 Da |
| Heavy Atoms | 22 |
| Complexity | 414.0 |
| SMILES | COC1=C(C=C(C=C1)CN2C(=O)C3=CC=CC=C3C2=O)OC |
| InChIKey | BGMFITRVNYZGRJ-UHFFFAOYSA-N |
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3,4-Dimethoxybenzyl)isoindoline-1,3-dione. With a topological polar surface area (TPSA) of 55.8 Ų, 2-(3,4-Dimethoxybenzyl)isoindoline-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3,4-Dimethoxybenzyl)isoindoline-1,3-dione has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-(3,4-Dimethoxybenzyl)isoindoline-1,3-dione is 155514-73-1.
The molecular formula of 2-(3,4-Dimethoxybenzyl)isoindoline-1,3-dione is C17H15NO4.
The molecular weight of 2-(3,4-Dimethoxybenzyl)isoindoline-1,3-dione is 297.1001 g/mol.
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