TL;DR: Ergoline, 6-methyl-8-((4-phenyl-1H-imidazol-1-yl)methyl)-, (8-beta)- (CAS 160730-43-8) is a chemical compound with molecular formula C25H26N4 and molecular weight 382.21576 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(6aR,9R)-7-methyl-9-[(4-phenylimidazol-1-yl)methyl]-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline
Also Known As: (5R,8R,10R)-6-Methyl-8-(4-phenyl-1-imidazolylmethyl)ergoline, 6-Methyl-8-((4-phenyl-1H-imidazol-1-yl)methyl)ergoline (8-beta)-, Ergoline, 6-methyl-8-((4-phenyl-1H-imidazol-1-yl)methyl)-, (8-beta)-, 6-Methyl-8-[(4-phenyl-1H-imidazol-1-yl)methyl]ergoline, (10xi)-6-Methyl-8beta-[(4-phenyl-1H-imidazol-1-yl)methyl]ergoline
| Molecular Formula | C25H26N4 |
| Molecular Weight | 382.21576 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 36.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 382.21576 Da |
| Heavy Atoms | 29 |
| Complexity | 575.0 |
| SMILES | CN1C[C@@H](CC2[C@H]1CC3=CNC4=CC=CC2=C34)CN5C=C(N=C5)C6=CC=CC=C6 |
| InChIKey | CYXDHGHIOWUWPM-NJMRJEAQSA-N |
The XLogP value of 4.0 indicates that Ergoline, 6-methyl-8-((4-phenyl-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-((4-phenyl-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-((4-phenyl-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-((4-phenyl-1H-imidazol-1-yl)methyl)-, (8-beta)- is 160730-43-8.
The molecular formula of Ergoline, 6-methyl-8-((4-phenyl-1H-imidazol-1-yl)methyl)-, (8-beta)- is C25H26N4.
The molecular weight of Ergoline, 6-methyl-8-((4-phenyl-1H-imidazol-1-yl)methyl)-, (8-beta)- is 382.21576 g/mol.
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