TL;DR: 2-(furan-2-ylmethyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione (CAS 1005117-64-5) is a chemical compound with molecular formula C14H15NO3 and molecular weight 245.1052 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(furan-2-ylmethyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
Also Known As: 2-(furan-2-ylmethyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione, 4-(2-furylmethyl)-4-azatricyclo[5.2.1.0~2,6~]decane-3,5-dione
| Molecular Formula | C14H15NO3 |
| Molecular Weight | 245.1052 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 50.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 245.1052 Da |
| Heavy Atoms | 18 |
| Complexity | 380.0 |
| SMILES | C1CC2CC1C3C2C(=O)N(C3=O)CC4=CC=CO4 |
| InChIKey | JQNZPVNFGNKHTE-UHFFFAOYSA-N |
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(furan-2-ylmethyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione. With a topological polar surface area (TPSA) of 50.5 Ų, 2-(furan-2-ylmethyl)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-(furan-2-ylmethyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione has 0 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 2-(furan-2-ylmethyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione is 1005117-64-5.
The molecular formula of 2-(furan-2-ylmethyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione is C14H15NO3.
The molecular weight of 2-(furan-2-ylmethyl)hexahydro-1H-4,7-methanoisoindole-1,3(2H)-dione is 245.1052 g/mol.
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