Methylergonovine maleate salt
TL;DR: Methylergonovine maleate salt (CAS 57432-61-8) is a chemical compound with molecular formula C24H29N3O6 and molecular weight 455.20563 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(6aR,9R)-N-[(2S)-1-hydroxybutan-2-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;but-2-enedioic acid
Also Known As: Methylergonovine maleate salt, (6Ar,9R)-N-[(2S)-1-hydroxybutan-2-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;but-2-enedioic acid
Technical Specifications
| Molecular Formula | C24H29N3O6 |
| Molecular Weight | 455.20563 g/mol |
| XLogP | 1.64 |
| Topological Polar Surface Area (TPSA) | 143.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 455.20563 Da |
| Heavy Atoms | 33 |
| Complexity | 668.0 |
| SMILES | CC[C@@H](CO)NC(=O)[C@H]1CN([C@@H]2CC3=CNC4=CC=CC(=C34)C2=C1)C.C(=CC(=O)O)C(=O)O |
| InChIKey | NOFOWWRHEPHDCY-BZEWFBLPSA-N |
Chemical Property Profile of Methylergonovine maleate salt
Property Insights of Methylergonovine maleate salt
The XLogP value of 1.64 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methylergonovine maleate salt. The TPSA of 143.0 Ų indicates high polarity, suggesting Methylergonovine maleate salt may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Methylergonovine maleate salt has 5 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Methylergonovine maleate salt?
The CAS number of Methylergonovine maleate salt is 57432-61-8.
What is the molecular formula of Methylergonovine maleate salt?
The molecular formula of Methylergonovine maleate salt is C24H29N3O6.
What is the molecular weight of Methylergonovine maleate salt?
The molecular weight of Methylergonovine maleate salt is 455.20563 g/mol.
Where can I buy Methylergonovine maleate salt?
You can request a quote for Methylergonovine maleate salt directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methylergonovine maleate salt?
Yes, CoreyChem provides custom synthesis services for Methylergonovine maleate salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.