Mesulergine
TL;DR: Mesulergine (CAS 64795-35-3) is a chemical compound with molecular formula C18H26N4O2S and molecular weight 362.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6aR,9S,10aR)-9-(dimethylsulfamoylamino)-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline
Also Known As: Mesulergine, Mesulerginum, Mesulergina, Mesulergine [INN], Mesulerginum [INN-Latin]
| Molecular Formula | C18H26N4O2S |
|---|---|
| Molecular Weight | 362.18 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 66.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 362.17764 |
| Heavy Atoms | 25 |
| Complexity | 605.0 |
Chemical Identifiers
| CAS Number | 64795-35-3 |
|---|---|
| SMILES | CN1C[C@H](C[C@H]2[C@H]1CC3=CN(C4=CC=CC2=C34)C)NS(=O)(=O)N(C)C |
| InChIKey | JLVHTNZNKOSCNB-YSVLISHTSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Mesulergine (CAS 64795-35-3), with molecular formula C18H26N4O2S and molecular weight 362.18 g/mol. IUPAC: (6aR,9S,10aR)-9-(dimethylsulfamoylamino)-4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinoline.
Chemical Property Profile of Mesulergine
Property Insights of Mesulergine
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Mesulergine. The TPSA of 66.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Mesulergine. Following Lipinski's Rule of Five, Mesulergine has 1 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 Mesulergine?
The CAS number of Mesulergine is 64795-35-3.
What is the molecular formula of Mesulergine?
The molecular formula of Mesulergine is C18H26N4O2S.
What is the molecular weight of Mesulergine?
The molecular weight of Mesulergine is 362.18 g/mol.
Where can I buy Mesulergine?
You can request a quote for Mesulergine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mesulergine?
Yes, KEHONG BIO provides custom synthesis services for Mesulergine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.