![8beta-[(Methylthio)methyl]-6-propylergoline structure](/static/products/6610/66104-22-1.webp)
8beta-[(Methylthio)methyl]-6-propylergoline
TL;DR: 8beta-[(Methylthio)methyl]-6-propylergoline (CAS 66104-22-1) is a chemical compound with molecular formula C19H26N2S and molecular weight 314.18167 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
9-(methylsulfanylmethyl)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline
Also Known As: pergolide, Ampyzine, Pergolide Methanesulfonate, CAS_66104-22-1, 8-[(Methylsulfanyl)methyl]-6-propylergoline #
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C19H26N2S |
| Molecular Weight | 314.18167 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 44.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 314.18167 Da |
| Heavy Atoms | 22 |
| Complexity | 388.0 |
| SMILES | CCCN1CC(CC2C1CC3=CNC4=CC=CC2=C34)CSC |
| InChIKey | YEHCICAEULNIGD-UHFFFAOYSA-N |
Chemical Property Profile of 8beta-[(Methylthio)methyl]-6-propylergoline
Property Insights of 8beta-[(Methylthio)methyl]-6-propylergoline
The XLogP value of 4.2 indicates that 8beta-[(Methylthio)methyl]-6-propylergoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.3 Ų, 8beta-[(Methylthio)methyl]-6-propylergoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8beta-[(Methylthio)methyl]-6-propylergoline has 1 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 8beta-[(Methylthio)methyl]-6-propylergoline?
The CAS number of 8beta-[(Methylthio)methyl]-6-propylergoline is 66104-22-1.
What is the molecular formula of 8beta-[(Methylthio)methyl]-6-propylergoline?
The molecular formula of 8beta-[(Methylthio)methyl]-6-propylergoline is C19H26N2S.
What is the molecular weight of 8beta-[(Methylthio)methyl]-6-propylergoline?
The molecular weight of 8beta-[(Methylthio)methyl]-6-propylergoline is 314.18167 g/mol.
Where can I buy 8beta-[(Methylthio)methyl]-6-propylergoline?
You can request a quote for 8beta-[(Methylthio)methyl]-6-propylergoline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 8beta-[(Methylthio)methyl]-6-propylergoline?
Yes, CoreyChem provides custom synthesis services for 8beta-[(Methylthio)methyl]-6-propylergoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.