TL;DR: 1-(2,5-dimethylbenzyl)-1H-indole-2,3-dione (CAS 688037-87-8) is a chemical compound with molecular formula C17H15NO2 and molecular weight 265.1103 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(2,5-dimethylphenyl)methyl]indole-2,3-dione
Also Known As: starbld0035648, 1-(2,5-dimethylbenzyl)-1H-indole-2,3-dione, 1-(2,5-Dimethylbenzyl)indoline-2,3-dione, 1-[(2,5-dimethylphenyl)methyl]indole-2,3-dione, 1-[(2,5-dimethylphenyl)methyl]-2,3-dihydro-1H-indole-2,3-dione
| Molecular Formula | C17H15NO2 |
| Molecular Weight | 265.1103 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 37.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 265.1103 Da |
| Heavy Atoms | 20 |
| Complexity | 406.0 |
| SMILES | CC1=CC(=C(C=C1)C)CN2C3=CC=CC=C3C(=O)C2=O |
| InChIKey | BYCOWZWAVCUMFR-UHFFFAOYSA-N |
The XLogP value of 3.1 indicates that 1-(2,5-dimethylbenzyl)-1H-indole-2,3-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.4 Ų, 1-(2,5-dimethylbenzyl)-1H-indole-2,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2,5-dimethylbenzyl)-1H-indole-2,3-dione has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-(2,5-dimethylbenzyl)-1H-indole-2,3-dione is 688037-87-8.
The molecular formula of 1-(2,5-dimethylbenzyl)-1H-indole-2,3-dione is C17H15NO2.
The molecular weight of 1-(2,5-dimethylbenzyl)-1H-indole-2,3-dione is 265.1103 g/mol.
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