Methysergide maleate
TL;DR: Methysergide maleate (CAS 129-49-7) is a chemical compound with molecular formula C25H31N3O6 and molecular weight 469.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6aR,9R)-N-[(2S)-1-hydroxybutan-2-yl]-4,7-dimethyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide;but-2-enedioic acid
Also Known As: Methysergide maleate, Ergoline-8-carboxamide,9,10-didehydro-N-[(1S)-1-(hydroxymethyl)propyl]-1,6-dimethyl-, (8b)-,(2Z)-2-butenedioate (1:1) (salt)
| Molecular Formula | C25H31N3O6 |
|---|---|
| Molecular Weight | 469.22 g/mol |
| LogP | 1.65 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 469.22128 |
| Heavy Atoms | 34 |
| Complexity | 697.0 |
Chemical Identifiers
| CAS Number | 129-49-7 |
|---|---|
| SMILES | CC[C@@H](CO)NC(=O)[C@H]1CN([C@@H]2CC3=CN(C4=CC=CC(=C34)C2=C1)C)C.C(=CC(=O)O)C(=O)O |
| InChIKey | LWYXFDXUMVEZKS-MZAYEULESA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methysergide maleate (CAS 129-49-7), with molecular formula C25H31N3O6 and molecular weight 469.22 g/mol. IUPAC: (6aR,9R)-N-[(2S)-1-hydroxybutan-2-yl]-4,7-dimethyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide;but-2-enedioic acid.
Chemical Property Profile of Methysergide maleate
Property Insights of Methysergide maleate
The XLogP value of 1.65 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methysergide maleate. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Methysergide maleate. Following Lipinski's Rule of Five, Methysergide maleate has 4 hydrogen bond donor(s) and 7 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 Methysergide maleate?
The CAS number of Methysergide maleate is 129-49-7.
What is the molecular formula of Methysergide maleate?
The molecular formula of Methysergide maleate is C25H31N3O6.
What is the molecular weight of Methysergide maleate?
The molecular weight of Methysergide maleate is 469.22 g/mol.
Where can I buy Methysergide maleate?
You can request a quote for Methysergide maleate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methysergide maleate?
Yes, KEHONG BIO provides custom synthesis services for Methysergide maleate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.