TL;DR: Ergoline, 8-((2-(4-methoxyphenyl)-1H-imidazol-1-yl)methyl)-6-methyl-, (8-beta)- (CAS 160730-42-7) is a chemical compound with molecular formula C26H28N4O and molecular weight 412.22632 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(6aR,9R)-9-[[2-(4-methoxyphenyl)imidazol-1-yl]methyl]-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline
Also Known As: 8-((2-(4-Methoxyphenyl)-1H-imidazol-1-yl)methyl)-6-methylergoline (8-beta)-, Ergoline, 8-((2-(4-methoxyphenyl)-1H-imidazol-1-yl)methyl)-6-methyl-, (8-beta)-, 8-{[2-(4-Methoxyphenyl)-1H-imidazol-1-yl]methyl}-6-methylergoline, (10xi)-8beta-{[2-(4-Methoxyphenyl)-1H-imidazol-1-yl]methyl}-6-methylergoline
| Molecular Formula | C26H28N4O |
| Molecular Weight | 412.22632 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 46.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 412.22632 Da |
| Heavy Atoms | 31 |
| Complexity | 623.0 |
| SMILES | CN1C[C@@H](CC2[C@H]1CC3=CNC4=CC=CC2=C34)CN5C=CN=C5C6=CC=C(C=C6)OC |
| InChIKey | CLZHRZOTUITPOA-ZKGBLMBJSA-N |
The XLogP value of 4.0 indicates that Ergoline, 8-((2-(4-methoxyphenyl)-1H-imidazol-1-yl)methyl)-6-methyl-, (8-beta)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.1 Ų, Ergoline, 8-((2-(4-methoxyphenyl)-1H-imidazol-1-yl)methyl)-6-methyl-, (8-beta)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ergoline, 8-((2-(4-methoxyphenyl)-1H-imidazol-1-yl)methyl)-6-methyl-, (8-beta)- 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 Ergoline, 8-((2-(4-methoxyphenyl)-1H-imidazol-1-yl)methyl)-6-methyl-, (8-beta)- is 160730-42-7.
The molecular formula of Ergoline, 8-((2-(4-methoxyphenyl)-1H-imidazol-1-yl)methyl)-6-methyl-, (8-beta)- is C26H28N4O.
The molecular weight of Ergoline, 8-((2-(4-methoxyphenyl)-1H-imidazol-1-yl)methyl)-6-methyl-, (8-beta)- is 412.22632 g/mol.
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