6-Methylergoline
TL;DR: 6-Methylergoline (CAS 109922-46-5) is a chemical compound with molecular formula C15H18N2 and molecular weight 226.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6aR,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline
Also Known As: 6-Methylergoline, Ergoline, 6-methyl-, 6-Methyl ergoline, (-)-(5R,10R)-6-methylergoline, J2.765.061I
| Molecular Formula | C15H18N2 |
|---|---|
| Molecular Weight | 226.15 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 19.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 226.147 |
| Heavy Atoms | 17 |
| Complexity | 303.0 |
Chemical Identifiers
| CAS Number | 109922-46-5 |
|---|---|
| SMILES | CN1CCC[C@H]2[C@H]1CC3=CNC4=CC=CC2=C34 |
| InChIKey | NNDATQSUZGLGQT-BXUZGUMPSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Methylergoline (CAS 109922-46-5), with molecular formula C15H18N2 and molecular weight 226.15 g/mol. IUPAC: (6aR,10aR)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline.
Chemical Property Profile of 6-Methylergoline
Property Insights of 6-Methylergoline
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Methylergoline. With a topological polar surface area (TPSA) of 19.0 Ų, 6-Methylergoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Methylergoline has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-Methylergoline?
The CAS number of 6-Methylergoline is 109922-46-5.
What is the molecular formula of 6-Methylergoline?
The molecular formula of 6-Methylergoline is C15H18N2.
What is the molecular weight of 6-Methylergoline?
The molecular weight of 6-Methylergoline is 226.15 g/mol.
Where can I buy 6-Methylergoline?
You can request a quote for 6-Methylergoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Methylergoline?
Yes, KEHONG BIO provides custom synthesis services for 6-Methylergoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.