Pergolide Mesylate
TL;DR: Pergolide Mesylate (CAS 66104-23-2) is a chemical compound with molecular formula C20H30N2O3S2 and molecular weight 410.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6aR,9R,10aR)-9-(methylsulfanylmethyl)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline;methanesulfonic acid
Also Known As: PERGOLIDE MESYLATE, Permax, Pergolide mesilate, Pergolide Methanesulfonate, pergolide
| Molecular Formula | C20H30N2O3S2 |
|---|---|
| Molecular Weight | 410.17 g/mol |
| LogP | 3.78 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 410.1698 |
| Heavy Atoms | 27 |
| Complexity | 480.0 |
| Solubility | 2.3 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 66104-23-2 |
|---|---|
| SMILES | CCCN1C[C@@H](C[C@H]2[C@H]1CC3=CNC4=CC=CC2=C34)CSC.CS(=O)(=O)O |
| InChIKey | UWCVGPLTGZWHGS-ZORIOUSZSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pergolide Mesylate (CAS 66104-23-2), with molecular formula C20H30N2O3S2 and molecular weight 410.17 g/mol. IUPAC: (6aR,9R,10aR)-9-(methylsulfanylmethyl)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline;methanesulfonic acid.
Chemical Property Profile of Pergolide Mesylate
Property Insights of Pergolide Mesylate
The XLogP value of 3.78 indicates that Pergolide Mesylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Pergolide Mesylate. Following Lipinski's Rule of Five, Pergolide Mesylate has 2 hydrogen bond donor(s) and 5 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 Pergolide Mesylate?
The CAS number of Pergolide Mesylate is 66104-23-2.
What is the molecular formula of Pergolide Mesylate?
The molecular formula of Pergolide Mesylate is C20H30N2O3S2.
What is the molecular weight of Pergolide Mesylate?
The molecular weight of Pergolide Mesylate is 410.17 g/mol.
Where can I buy Pergolide Mesylate?
You can request a quote for Pergolide Mesylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pergolide Mesylate?
Yes, KEHONG BIO provides custom synthesis services for Pergolide Mesylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.