TL;DR: 3-[(2,5-Dimethoxyphenyl)methyl]-1,3-dihydroindol-2-one (CAS 128564-82-9) is a chemical compound with molecular formula C17H17NO3 and molecular weight 283.12085 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(2,5-dimethoxyphenyl)methyl]-1,3-dihydroindol-2-one
Also Known As: 3-(2,5-dimethoxybenzyl)indolin-2-one, J1.819.671I, 3-(2,5-dimethoxybenzyl)-1,3-dihydro-2h-indol-2-one, 3-[(2,5-dimethoxyphenyl)methyl]-1,3-dihydroindol-2-one, 1,3-Dihydro-3-(2,5-dimethoxybenzyl)-2H-indole-2-one
| Molecular Formula | C17H17NO3 |
| Molecular Weight | 283.12085 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 47.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 283.12085 Da |
| Heavy Atoms | 21 |
| Complexity | 373.0 |
| SMILES | COC1=CC(=C(C=C1)OC)CC2C3=CC=CC=C3NC2=O |
| InChIKey | IIDBFBPTLJSWAN-UHFFFAOYSA-N |
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(2,5-Dimethoxyphenyl)methyl]-1,3-dihydroindol-2-one. With a topological polar surface area (TPSA) of 47.6 Ų, 3-[(2,5-Dimethoxyphenyl)methyl]-1,3-dihydroindol-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(2,5-Dimethoxyphenyl)methyl]-1,3-dihydroindol-2-one has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-[(2,5-Dimethoxyphenyl)methyl]-1,3-dihydroindol-2-one is 128564-82-9.
The molecular formula of 3-[(2,5-Dimethoxyphenyl)methyl]-1,3-dihydroindol-2-one is C17H17NO3.
The molecular weight of 3-[(2,5-Dimethoxyphenyl)methyl]-1,3-dihydroindol-2-one is 283.12085 g/mol.
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