TL;DR: Ergoline, 6-methyl-8-((5-methyl-3-phenyl-1H-pyrazol-1-yl)methyl)-, (8-beta)- (CAS 115219-09-5) is a chemical compound with molecular formula C26H28N4 and molecular weight 396.23138 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(6aR,9R)-7-methyl-9-[(5-methyl-3-phenylpyrazol-1-yl)methyl]-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline
Also Known As: 6-Methyl-8-((5-methyl-3-phenyl-1H-pyrazol-1-yl)methyl)ergoline (8-beta)-, Ergoline, 6-methyl-8-((5-methyl-3-phenyl-1H-pyrazol-1-yl)methyl)-, (8-beta)-, 6-Methyl-8-[(5-methyl-3-phenyl-1H-pyrazol-1-yl)methyl]ergoline, (10xi)-6-Methyl-8beta-[(5-methyl-3-phenyl-1H-pyrazol-1-yl)methyl]ergoline
| Molecular Formula | C26H28N4 |
| Molecular Weight | 396.23138 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 36.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 396.23138 Da |
| Heavy Atoms | 30 |
| Complexity | 604.0 |
| SMILES | CC1=CC(=NN1C[C@@H]2CC3[C@@H](CC4=CNC5=CC=CC3=C45)N(C2)C)C6=CC=CC=C6 |
| InChIKey | HNSCQGABZZODTA-LCLGPDGMSA-N |
The XLogP value of 4.6 indicates that Ergoline, 6-methyl-8-((5-methyl-3-phenyl-1H-pyrazol-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-((5-methyl-3-phenyl-1H-pyrazol-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-((5-methyl-3-phenyl-1H-pyrazol-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-((5-methyl-3-phenyl-1H-pyrazol-1-yl)methyl)-, (8-beta)- is 115219-09-5.
The molecular formula of Ergoline, 6-methyl-8-((5-methyl-3-phenyl-1H-pyrazol-1-yl)methyl)-, (8-beta)- is C26H28N4.
The molecular weight of Ergoline, 6-methyl-8-((5-methyl-3-phenyl-1H-pyrazol-1-yl)methyl)-, (8-beta)- is 396.23138 g/mol.
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