TL;DR: Ergoline, 2-bromo-8-(1H-imidazolin-1-ylmethyl)-6-methyl-, (8-beta)- (CAS 160730-55-2) is a chemical compound with molecular formula C19H21BrN4 and molecular weight 384.09497 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(6aR,9R)-5-bromo-9-(imidazol-1-ylmethyl)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline
Also Known As: Ergoline, 2-bromo-8-(1H-imidazolin-1-ylmethyl)-6-methyl-, (8-beta)-, 2-Bromo-8-(1H-imidazolin-1-ylmethyl)-6-methylergoline (8-beta)-, 2-Bromo-8-[(1H-imidazol-1-yl)methyl]-6-methylergoline, (10xi)-2-Bromo-8beta-[(1H-imidazol-1-yl)methyl]-6-methylergoline
| Molecular Formula | C19H21BrN4 |
| Molecular Weight | 384.09497 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 36.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 384.09497 Da |
| Heavy Atoms | 24 |
| Complexity | 474.0 |
| SMILES | CN1C[C@@H](CC2[C@H]1CC3=C(NC4=CC=CC2=C34)Br)CN5C=CN=C5 |
| InChIKey | NYGLOGCAOZGGCH-ZYFOBHMOSA-N |
The XLogP value of 3.4 indicates that Ergoline, 2-bromo-8-(1H-imidazolin-1-ylmethyl)-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 36.9 Ų, Ergoline, 2-bromo-8-(1H-imidazolin-1-ylmethyl)-6-methyl-, (8-beta)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ergoline, 2-bromo-8-(1H-imidazolin-1-ylmethyl)-6-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, 2-bromo-8-(1H-imidazolin-1-ylmethyl)-6-methyl-, (8-beta)- is 160730-55-2.
The molecular formula of Ergoline, 2-bromo-8-(1H-imidazolin-1-ylmethyl)-6-methyl-, (8-beta)- is C19H21BrN4.
The molecular weight of Ergoline, 2-bromo-8-(1H-imidazolin-1-ylmethyl)-6-methyl-, (8-beta)- is 384.09497 g/mol.
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