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8β-[(甲硫基)甲基]-6-丙基麦角啉
TL;DR: 8β-[(甲硫基)甲基]-6-丙基麦角啉 (CAS 66104-22-1) is a chemical compound with molecular formula C19H26N2S and molecular weight 314.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8β-[(甲硫基)甲基]-6-丙基麦角啉
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 #
| Molecular Formula | C19H26N2S |
|---|---|
| Molecular Weight | 314.18 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 44.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 314.18167 |
| Heavy Atoms | 22 |
| Complexity | 388.0 |
Chemical Identifiers
| CAS Number | 66104-22-1 |
|---|---|
| SMILES | CCCN1CC(CC2C1CC3=CNC4=CC=CC2=C34)CSC |
| InChIKey | YEHCICAEULNIGD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
8β-[(甲硫基)甲基]-6-丙基麦角啉 (CAS 66104-22-1), with molecular formula C19H26N2S and molecular weight 314.18 g/mol. IUPAC: 9-(methylsulfanylmethyl)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline.
Chemical Property Profile of 8β-[(甲硫基)甲基]-6-丙基麦角啉
Property Insights of 8β-[(甲硫基)甲基]-6-丙基麦角啉
The XLogP value of 4.2 indicates that 8β-[(甲硫基)甲基]-6-丙基麦角啉 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.3 Ų, 8β-[(甲硫基)甲基]-6-丙基麦角啉 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8β-[(甲硫基)甲基]-6-丙基麦角啉 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
Frequently Asked Questions
What is the CAS number of 8β-[(甲硫基)甲基]-6-丙基麦角啉?
The CAS number of 8β-[(甲硫基)甲基]-6-丙基麦角啉 is 66104-22-1.
What is the molecular formula of 8β-[(甲硫基)甲基]-6-丙基麦角啉?
The molecular formula of 8β-[(甲硫基)甲基]-6-丙基麦角啉 is C19H26N2S.
What is the molecular weight of 8β-[(甲硫基)甲基]-6-丙基麦角啉?
The molecular weight of 8β-[(甲硫基)甲基]-6-丙基麦角啉 is 314.18 g/mol.
Where can I buy 8β-[(甲硫基)甲基]-6-丙基麦角啉?
You can request a quote for 8β-[(甲硫基)甲基]-6-丙基麦角啉 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8β-[(甲硫基)甲基]-6-丙基麦角啉?
Yes, KEHONG BIO provides custom synthesis services for 8β-[(甲硫基)甲基]-6-丙基麦角啉 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.