Pergolide sulfone
TL;DR: Pergolide sulfone (CAS 72822-03-8) is a chemical compound with molecular formula C19H26N2O2S and molecular weight 346.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6aR,9R)-9-(methylsulfonylmethyl)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline
Also Known As: Pergolide sulfone, 8-[(Methanesulfonyl)methyl]-6-propylergoline, (8beta)-8-[(Methylsulfonyl)methyl]-6-propyl-ergoline, (10xi)-8beta-[(Methanesulfonyl)methyl]-6-propylergoline, Ergoline, 8-((methylsulfonyl)methyl)-6-propyl-, (8beta)-
| Molecular Formula | C19H26N2O2S |
|---|---|
| Molecular Weight | 346.17 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 61.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 346.1715 |
| Heavy Atoms | 24 |
| Complexity | 558.0 |
Chemical Identifiers
| CAS Number | 72822-03-8 |
|---|---|
| SMILES | CCCN1C[C@@H](CC2[C@H]1CC3=CNC4=CC=CC2=C34)CS(=O)(=O)C |
| InChIKey | BRFHHAXHZFOBNY-DQYPLQBXSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pergolide sulfone (CAS 72822-03-8), with molecular formula C19H26N2O2S and molecular weight 346.17 g/mol. IUPAC: (6aR,9R)-9-(methylsulfonylmethyl)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline.
Chemical Property Profile of Pergolide sulfone
Property Insights of Pergolide sulfone
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pergolide sulfone. The TPSA of 61.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Pergolide sulfone. Following Lipinski's Rule of Five, Pergolide sulfone has 1 hydrogen bond donor(s) and 3 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 sulfone?
The CAS number of Pergolide sulfone is 72822-03-8.
What is the molecular formula of Pergolide sulfone?
The molecular formula of Pergolide sulfone is C19H26N2O2S.
What is the molecular weight of Pergolide sulfone?
The molecular weight of Pergolide sulfone is 346.17 g/mol.
Where can I buy Pergolide sulfone?
You can request a quote for Pergolide sulfone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pergolide sulfone?
Yes, KEHONG BIO provides custom synthesis services for Pergolide sulfone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.