Ergoline, 6-methyl-8-((methylthio)methyl)-, monohydrochloride, (8-beta)-
TL;DR: Ergoline, 6-methyl-8-((methylthio)methyl)-, monohydrochloride, (8-beta)- (CAS 111337-90-7) is a chemical compound with molecular formula C17H23ClN2S and molecular weight 322.12704 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(6aR,9R)-7-methyl-9-(methylsulfanylmethyl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline;hydrochloride
Also Known As: 6-Methyl-8-beta-(methylthiomethyl)-ergoline hydrochloride, (8-beta)-6-Methyl-8-((methylthio)methyl)ergoline monohydrochloride, Ergoline, 6-methyl-8-((methylthio)methyl)-, monohydrochloride, (8-beta)-, 6-Methyl-8-[(methylsulfanyl)methyl]ergoline--hydrogen chloride (1/1), (10xi)-6-Methyl-8beta-[(methylsulfanyl)methyl]ergoline--hydrogen chloride (1/1)
Technical Specifications
| Molecular Formula | C17H23ClN2S |
| Molecular Weight | 322.12704 g/mol |
| XLogP | 3.9127 |
| Topological Polar Surface Area (TPSA) | 44.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 322.12704 Da |
| Heavy Atoms | 21 |
| Complexity | 361.0 |
| SMILES | CN1C[C@@H](CC2[C@H]1CC3=CNC4=CC=CC2=C34)CSC.Cl |
| InChIKey | VMISTYPGNAZCCX-SPBVUECSSA-N |
Chemical Property Profile of Ergoline, 6-methyl-8-((methylthio)methyl)-, monohydrochloride, (8-beta)-
Property Insights of Ergoline, 6-methyl-8-((methylthio)methyl)-, monohydrochloride, (8-beta)-
The XLogP value of 3.9127 indicates that Ergoline, 6-methyl-8-((methylthio)methyl)-, monohydrochloride, (8-beta)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.3 Ų, Ergoline, 6-methyl-8-((methylthio)methyl)-, monohydrochloride, (8-beta)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ergoline, 6-methyl-8-((methylthio)methyl)-, monohydrochloride, (8-beta)- has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Ergoline, 6-methyl-8-((methylthio)methyl)-, monohydrochloride, (8-beta)-?
The CAS number of Ergoline, 6-methyl-8-((methylthio)methyl)-, monohydrochloride, (8-beta)- is 111337-90-7.
What is the molecular formula of Ergoline, 6-methyl-8-((methylthio)methyl)-, monohydrochloride, (8-beta)-?
The molecular formula of Ergoline, 6-methyl-8-((methylthio)methyl)-, monohydrochloride, (8-beta)- is C17H23ClN2S.
What is the molecular weight of Ergoline, 6-methyl-8-((methylthio)methyl)-, monohydrochloride, (8-beta)-?
The molecular weight of Ergoline, 6-methyl-8-((methylthio)methyl)-, monohydrochloride, (8-beta)- is 322.12704 g/mol.
Where can I buy Ergoline, 6-methyl-8-((methylthio)methyl)-, monohydrochloride, (8-beta)-?
You can request a quote for Ergoline, 6-methyl-8-((methylthio)methyl)-, monohydrochloride, (8-beta)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ergoline, 6-methyl-8-((methylthio)methyl)-, monohydrochloride, (8-beta)-?
Yes, CoreyChem provides custom synthesis services for Ergoline, 6-methyl-8-((methylthio)methyl)-, monohydrochloride, (8-beta)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.