TL;DR: 2-(2-ethylphenyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione (CAS 1005117-38-3) is a chemical compound with molecular formula C17H19NO2 and molecular weight 269.14157 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(2-ethylphenyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
Also Known As: 2-(2-ethylphenyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
| Molecular Formula | C17H19NO2 |
| Molecular Weight | 269.14157 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 37.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 269.14157 Da |
| Heavy Atoms | 20 |
| Complexity | 418.0 |
| SMILES | CCC1=CC=CC=C1N2C(=O)C3C4CCC(C4)C3C2=O |
| InChIKey | NBBDOVAPLLURJD-UHFFFAOYSA-N |
The XLogP value of 3.3 indicates that 2-(2-ethylphenyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-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, 2-(2-ethylphenyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-ethylphenyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-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 2-(2-ethylphenyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione is 1005117-38-3.
The molecular formula of 2-(2-ethylphenyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione is C17H19NO2.
The molecular weight of 2-(2-ethylphenyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione is 269.14157 g/mol.
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