Methergine
TL;DR: Methergine (CAS 7054-07-1) is a chemical compound with molecular formula C24H29N3O6 and molecular weight 455.21 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]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;(Z)-but-2-enedioic acid
Also Known As: Methylergonovine maleate, Methylergometrine maleate, Methergine, Erezingen, Basofortina
| Molecular Formula | C24H29N3O6 |
|---|---|
| Molecular Weight | 455.21 g/mol |
| LogP | 1.6365 |
| Topological Polar Surface Area | 142.96 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 455.20563 |
| Heavy Atoms | 33 |
| Complexity | 1082.8097 |
Chemical Identifiers
| CAS Number | 7054-07-1 |
|---|---|
| SMILES | CC[C@@H](CO)NC(=O)[C@H]1CN([C@@H]2CC3=CNC4=CC=CC(=C34)C2=C1)C.C(=C\C(=O)O)\C(=O)O |
Product Overview
Methergine (CAS 7054-07-1), with molecular formula C24H29N3O6 and molecular weight 455.21 g/mol. IUPAC: (6aR,9R)-N-[(2S)-1-hydroxybutan-2-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;(Z)-but-2-enedioic acid.
Chemical Property Profile of Methergine
Property Insights of Methergine
The XLogP value of 1.6365 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methergine. The TPSA of 142.96 Ų indicates high polarity, suggesting Methergine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Methergine has 5 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 Methergine?
The CAS number of Methergine is 7054-07-1.
What is the molecular formula of Methergine?
The molecular formula of Methergine is C24H29N3O6.
What is the molecular weight of Methergine?
The molecular weight of Methergine is 455.21 g/mol.
Where can I buy Methergine?
You can request a quote for Methergine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methergine?
Yes, KEHONG BIO provides custom synthesis services for Methergine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.