Isomethergine
TL;DR: Isomethergine (CAS 113-42-8) is a chemical compound with molecular formula C20H25N3O2 and molecular weight 339.19467 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(1-hydroxybutan-2-yl)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
Also Known As: methylergonovine, Methergine, Isomethergine, Methylergobasin, Methylergonovin
Technical Specifications
| Molecular Formula | C20H25N3O2 |
| Molecular Weight | 339.19467 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 68.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 339.19467 Da |
| Heavy Atoms | 25 |
| Complexity | 549.0 |
| SMILES | CCC(CO)NC(=O)C1CN(C2CC3=CNC4=CC=CC(=C34)C2=C1)C |
| InChIKey | UNBRKDKAWYKMIV-UHFFFAOYSA-N |
Product Description
Applications: Isomethergine is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Isomethergine (CAS 113-42-8) is a fine chemical with the molecular formula C20H25N3O2 and a molecular weight of 339.19 g/mol. Synonyms include methylergonovine and Methergine.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Isomethergine
Property Insights of Isomethergine
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isomethergine. The TPSA of 68.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Isomethergine. Following Lipinski's Rule of Five, Isomethergine has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Isomethergine?
The CAS number of Isomethergine is 113-42-8.
What is the molecular formula of Isomethergine?
The molecular formula of Isomethergine is C20H25N3O2.
What is the molecular weight of Isomethergine?
The molecular weight of Isomethergine is 339.19467 g/mol.
What are the applications of Isomethergine?
Isomethergine is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Where can I buy Isomethergine?
You can request a quote for Isomethergine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isomethergine?
Yes, CoreyChem provides custom synthesis services for Isomethergine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.