6-Methyl-8-(1,2-oxazol-3-yl)ergoline
TL;DR: 6-Methyl-8-(1,2-oxazol-3-yl)ergoline (CAS 116979-31-8) is a chemical compound with molecular formula C18H19N3O and molecular weight 293.1528 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[(6aR,9R)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]-1,2-oxazole
Also Known As: 6-Methyl-8-beta-(isoxazol-3-yl)ergoline, (8-beta)-8-(3-Isoxazolyl)-6-methylergoline, 6-Methyl-8-(1,2-oxazol-3-yl)ergoline, Ergoline, 8-(3-isoxazolyl)-6-methyl-, (8-beta)-, (10xi)-6-Methyl-8beta-(1,2-oxazol-3-yl)ergoline
Technical Specifications
| Molecular Formula | C18H19N3O |
| Molecular Weight | 293.1528 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 45.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 293.1528 Da |
| Heavy Atoms | 22 |
| Complexity | 431.0 |
| SMILES | CN1C[C@@H](CC2[C@H]1CC3=CNC4=CC=CC2=C34)C5=NOC=C5 |
| InChIKey | QUGQNUBWNFKOCK-ZYFOBHMOSA-N |
Chemical Property Profile of 6-Methyl-8-(1,2-oxazol-3-yl)ergoline
Property Insights of 6-Methyl-8-(1,2-oxazol-3-yl)ergoline
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Methyl-8-(1,2-oxazol-3-yl)ergoline. With a topological polar surface area (TPSA) of 45.1 Ų, 6-Methyl-8-(1,2-oxazol-3-yl)ergoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Methyl-8-(1,2-oxazol-3-yl)ergoline has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 6-Methyl-8-(1,2-oxazol-3-yl)ergoline?
The CAS number of 6-Methyl-8-(1,2-oxazol-3-yl)ergoline is 116979-31-8.
What is the molecular formula of 6-Methyl-8-(1,2-oxazol-3-yl)ergoline?
The molecular formula of 6-Methyl-8-(1,2-oxazol-3-yl)ergoline is C18H19N3O.
What is the molecular weight of 6-Methyl-8-(1,2-oxazol-3-yl)ergoline?
The molecular weight of 6-Methyl-8-(1,2-oxazol-3-yl)ergoline is 293.1528 g/mol.
Where can I buy 6-Methyl-8-(1,2-oxazol-3-yl)ergoline?
You can request a quote for 6-Methyl-8-(1,2-oxazol-3-yl)ergoline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6-Methyl-8-(1,2-oxazol-3-yl)ergoline?
Yes, CoreyChem provides custom synthesis services for 6-Methyl-8-(1,2-oxazol-3-yl)ergoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.