TL;DR: 1H-Isoindole-1,3(2H)-dione, 2-(((8-beta)-6-methylergolin-8-yl)methyl)- (CAS 160730-51-8) is a chemical compound with molecular formula C24H23N3O2 and molecular weight 385.17902 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[(6aR,9R)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]isoindole-1,3-dione
Also Known As: 2-(((8-beta)-6-Methylergolin-8-yl)methyl)-1H-isoindole-1,3(2H)-dione, 1H-Isoindole-1,3(2H)-dione, 2-(((8-beta)-6-methylergolin-8-yl)methyl)-, 2-[(6-Methylergolin-8-yl)methyl]-1H-isoindole-1,3(2H)-dione, 2-{[(10xi)-6-Methylergolin-8beta-yl]methyl}-1H-isoindole-1,3(2H)-dione
| Molecular Formula | C24H23N3O2 |
| Molecular Weight | 385.17902 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 56.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 385.17902 Da |
| Heavy Atoms | 29 |
| Complexity | 672.0 |
| SMILES | CN1C[C@@H](CC2[C@H]1CC3=CNC4=CC=CC2=C34)CN5C(=O)C6=CC=CC=C6C5=O |
| InChIKey | FNWIRUPJRXHLBO-ZEMWXQFSSA-N |
The XLogP value of 3.3 indicates that 1H-Isoindole-1,3(2H)-dione, 2-(((8-beta)-6-methylergolin-8-yl)methyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.4 Ų, 1H-Isoindole-1,3(2H)-dione, 2-(((8-beta)-6-methylergolin-8-yl)methyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Isoindole-1,3(2H)-dione, 2-(((8-beta)-6-methylergolin-8-yl)methyl)- 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 1H-Isoindole-1,3(2H)-dione, 2-(((8-beta)-6-methylergolin-8-yl)methyl)- is 160730-51-8.
The molecular formula of 1H-Isoindole-1,3(2H)-dione, 2-(((8-beta)-6-methylergolin-8-yl)methyl)- is C24H23N3O2.
The molecular weight of 1H-Isoindole-1,3(2H)-dione, 2-(((8-beta)-6-methylergolin-8-yl)methyl)- is 385.17902 g/mol.
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