TL;DR: Ergoline, 6-methyl-8-((2-propyl-1H-imidazol-1-yl)methyl)-, (8-beta)- (CAS 105579-53-1) is a chemical compound with molecular formula C22H28N4 and molecular weight 348.23138 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(6aR,9R)-7-methyl-9-[(2-propylimidazol-1-yl)methyl]-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline
Also Known As: Ergoline, 6-methyl-8-((2-propyl-1H-imidazol-1-yl)methyl)-, (8-beta)-, 6-Methyl-8-((2-propyl-1H-imidazol-1-yl)methyl)ergoline (8-beta)-, 6-Methyl-8-[(2-propyl-1H-imidazol-1-yl)methyl]ergoline, (10xi)-6-Methyl-8beta-[(2-propyl-1H-imidazol-1-yl)methyl]ergoline
| Molecular Formula | C22H28N4 |
| Molecular Weight | 348.23138 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 36.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 348.23138 Da |
| Heavy Atoms | 26 |
| Complexity | 497.0 |
| SMILES | CCCC1=NC=CN1C[C@@H]2CC3[C@@H](CC4=CNC5=CC=CC3=C45)N(C2)C |
| InChIKey | NGXZOWDBJNRGQB-FBOUHOSPSA-N |
The XLogP value of 3.5 indicates that Ergoline, 6-methyl-8-((2-propyl-1H-imidazol-1-yl)methyl)-, (8-beta)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 36.9 Ų, Ergoline, 6-methyl-8-((2-propyl-1H-imidazol-1-yl)methyl)-, (8-beta)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ergoline, 6-methyl-8-((2-propyl-1H-imidazol-1-yl)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, 6-methyl-8-((2-propyl-1H-imidazol-1-yl)methyl)-, (8-beta)- is 105579-53-1.
The molecular formula of Ergoline, 6-methyl-8-((2-propyl-1H-imidazol-1-yl)methyl)-, (8-beta)- is C22H28N4.
The molecular weight of Ergoline, 6-methyl-8-((2-propyl-1H-imidazol-1-yl)methyl)-, (8-beta)- is 348.23138 g/mol.
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