TL;DR: Ergoline, 8-(1H-imidazol-1-ylmethyl)-6-methyl-, (8-beta)- (CAS 105579-43-9) is a chemical compound with molecular formula C19H22N4 and molecular weight 306.18445 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(6aR,9R)-9-(imidazol-1-ylmethyl)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline
Also Known As: Ergoline, 8-(1H-imidazol-1-ylmethyl)-6-methyl-, (8-beta)-, 8-(1H-Imidazol-1-ylmethyl)-6-methylergoline (8-beta)-, 8-[(1H-Imidazol-1-yl)methyl]-6-methylergoline, (10xi)-8beta-[(1H-Imidazol-1-yl)methyl]-6-methylergoline
| Molecular Formula | C19H22N4 |
| Molecular Weight | 306.18445 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 36.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 306.18445 Da |
| Heavy Atoms | 23 |
| Complexity | 441.0 |
| SMILES | CN1C[C@@H](CC2[C@H]1CC3=CNC4=CC=CC2=C34)CN5C=CN=C5 |
| InChIKey | DFHYZNDFVDJYAL-DQYPLQBXSA-N |
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ergoline, 8-(1H-imidazol-1-ylmethyl)-6-methyl-, (8-beta)-. With a topological polar surface area (TPSA) of 36.9 Ų, Ergoline, 8-(1H-imidazol-1-ylmethyl)-6-methyl-, (8-beta)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ergoline, 8-(1H-imidazol-1-ylmethyl)-6-methyl-, (8-beta)- has 1 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 Ergoline, 8-(1H-imidazol-1-ylmethyl)-6-methyl-, (8-beta)- is 105579-43-9.
The molecular formula of Ergoline, 8-(1H-imidazol-1-ylmethyl)-6-methyl-, (8-beta)- is C19H22N4.
The molecular weight of Ergoline, 8-(1H-imidazol-1-ylmethyl)-6-methyl-, (8-beta)- is 306.18445 g/mol.
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