TL;DR: Ergoline, 2-chloro-6-methyl-8-((2-phenyl-1H-imidazol-1-yl)methyl)-, (8-alpha)- (CAS 162070-35-1) is a chemical compound with molecular formula C25H25ClN4 and molecular weight 416.1768 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(6aR,9S)-5-chloro-7-methyl-9-[(2-phenylimidazol-1-yl)methyl]-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline
Also Known As: (5R,8S,10R)-2-Chloro-6-methyl-8-((2-phenyl-1H-imidazol-1-yl)methyl)ergoline, Ergoline, 2-chloro-6-methyl-8-((2-phenyl-1H-imidazol-1-yl)methyl)-, (8-alpha)-, 2-Chloro-6-methyl-8-alpha-((2-phenyl-1H-imidazol-1-yl)methyl)ergoline, Ergoline, 2-chloro-6-methyl-8-((2-phenyl-1H-imidazol-1-yl)methyl)-, (8-beta)-
| Molecular Formula | C25H25ClN4 |
| Molecular Weight | 416.1768 g/mol |
| XLogP | 5.0 |
| Topological Polar Surface Area (TPSA) | 36.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 416.1768 Da |
| Heavy Atoms | 30 |
| Complexity | 610.0 |
| SMILES | CN1C[C@H](CC2[C@H]1CC3=C(NC4=CC=CC2=C34)Cl)CN5C=CN=C5C6=CC=CC=C6 |
| InChIKey | WQGWRRYTVDDBSK-STBDEFDDSA-N |
The XLogP value of 5.0 indicates that Ergoline, 2-chloro-6-methyl-8-((2-phenyl-1H-imidazol-1-yl)methyl)-, (8-alpha)- 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, 2-chloro-6-methyl-8-((2-phenyl-1H-imidazol-1-yl)methyl)-, (8-alpha)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ergoline, 2-chloro-6-methyl-8-((2-phenyl-1H-imidazol-1-yl)methyl)-, (8-alpha)- 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, 2-chloro-6-methyl-8-((2-phenyl-1H-imidazol-1-yl)methyl)-, (8-alpha)- is 162070-35-1.
The molecular formula of Ergoline, 2-chloro-6-methyl-8-((2-phenyl-1H-imidazol-1-yl)methyl)-, (8-alpha)- is C25H25ClN4.
The molecular weight of Ergoline, 2-chloro-6-methyl-8-((2-phenyl-1H-imidazol-1-yl)methyl)-, (8-alpha)- is 416.1768 g/mol.
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