Etisulergine
TL;DR: Etisulergine (CAS 64795-23-9) is a chemical compound with molecular formula C19H28N4O2S and molecular weight 376.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6aR,9S,10aR)-9-(diethylsulfamoylamino)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline
Also Known As: Etisulergine, Etisulergina, Etisulerginum, etisulergine[inn], Etisulergine [INN]
| Molecular Formula | C19H28N4O2S |
|---|---|
| Molecular Weight | 376.19 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 76.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 376.1933 |
| Heavy Atoms | 26 |
| Complexity | 603.0 |
Chemical Identifiers
| CAS Number | 64795-23-9 |
|---|---|
| SMILES | CCN(CC)S(=O)(=O)N[C@H]1C[C@H]2[C@@H](CC3=CNC4=CC=CC2=C34)N(C1)C |
| InChIKey | YHEIHLVIKSTGJE-YXJHDRRASA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Etisulergine (CAS 64795-23-9), with molecular formula C19H28N4O2S and molecular weight 376.19 g/mol. IUPAC: (6aR,9S,10aR)-9-(diethylsulfamoylamino)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline.
Chemical Property Profile of Etisulergine
Property Insights of Etisulergine
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Etisulergine. The TPSA of 76.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Etisulergine. Following Lipinski's Rule of Five, Etisulergine 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 Etisulergine?
The CAS number of Etisulergine is 64795-23-9.
What is the molecular formula of Etisulergine?
The molecular formula of Etisulergine is C19H28N4O2S.
What is the molecular weight of Etisulergine?
The molecular weight of Etisulergine is 376.19 g/mol.
Where can I buy Etisulergine?
You can request a quote for Etisulergine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Etisulergine?
Yes, KEHONG BIO provides custom synthesis services for Etisulergine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.