Methylergometrinine
TL;DR: Methylergometrinine (CAS 29477-88-1) is a chemical compound with molecular formula C20H25N3O2 and molecular weight 339.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6aR,9S)-N-[(2S)-1-hydroxybutan-2-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
Also Known As: methylergonovine, Methylergometrinine, lysergic acid Impurity 5, Methylergometrine EP Impurity H, Methylergometrine Maleate EP Impurity H
| Molecular Formula | C20H25N3O2 |
|---|---|
| Molecular Weight | 339.19 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 68.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 339.19467 |
| Heavy Atoms | 25 |
| Complexity | 549.0 |
Chemical Identifiers
| CAS Number | 29477-88-1 |
|---|---|
| SMILES | CC[C@@H](CO)NC(=O)[C@@H]1CN([C@@H]2CC3=CNC4=CC=CC(=C34)C2=C1)C |
| InChIKey | UNBRKDKAWYKMIV-SUNYJGFJSA-N |
Product Overview
Methylergometrinine (CAS 29477-88-1), with molecular formula C20H25N3O2 and molecular weight 339.19 g/mol. IUPAC: (6aR,9S)-N-[(2S)-1-hydroxybutan-2-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide.
Chemical Property Profile of Methylergometrinine
Property Insights of Methylergometrinine
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methylergometrinine. The TPSA of 68.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Methylergometrinine. Following Lipinski's Rule of Five, Methylergometrinine 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
Frequently Asked Questions
What is the CAS number of Methylergometrinine?
The CAS number of Methylergometrinine is 29477-88-1.
What is the molecular formula of Methylergometrinine?
The molecular formula of Methylergometrinine is C20H25N3O2.
What is the molecular weight of Methylergometrinine?
The molecular weight of Methylergometrinine is 339.19 g/mol.
Where can I buy Methylergometrinine?
You can request a quote for Methylergometrinine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methylergometrinine?
Yes, KEHONG BIO provides custom synthesis services for Methylergometrinine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.