Ergonovine maleate
TL;DR: Ergonovine maleate (CAS 129-51-1) is a chemical compound with molecular formula C23H27N3O6 and molecular weight 441.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
but-2-enedioic acid;N-(1-hydroxypropan-2-yl)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
Also Known As: Ergonovine maleate, (6aR,9R)-N-[(2S)-1-hydroxypropan-2-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide;(Z)-but-2-enedioic acid
| Molecular Formula | C23H27N3O6 |
|---|---|
| Molecular Weight | 441.19 g/mol |
| LogP | 1.2464 |
| Topological Polar Surface Area | 143.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 441.18997 |
| Heavy Atoms | 32 |
| Complexity | 654.0 |
Chemical Identifiers
| CAS Number | 129-51-1 |
|---|---|
| SMILES | CC(CO)NC(=O)C1CN(C2CC3=CNC4=CC=CC(=C34)C2=C1)C.C(=CC(=O)O)C(=O)O |
| InChIKey | YREISLCRUMOYAY-UHFFFAOYSA-N |
Product Overview
Ergonovine maleate (CAS 129-51-1), with molecular formula C23H27N3O6 and molecular weight 441.19 g/mol. IUPAC: but-2-enedioic acid;N-(1-hydroxypropan-2-yl)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide.
Chemical Property Profile of Ergonovine maleate
Property Insights of Ergonovine maleate
The XLogP value of 1.2464 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ergonovine maleate. The TPSA of 143.0 Ų indicates high polarity, suggesting Ergonovine maleate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ergonovine maleate 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
Frequently Asked Questions
What is the CAS number of Ergonovine maleate?
The CAS number of Ergonovine maleate is 129-51-1.
What is the molecular formula of Ergonovine maleate?
The molecular formula of Ergonovine maleate is C23H27N3O6.
What is the molecular weight of Ergonovine maleate?
The molecular weight of Ergonovine maleate is 441.19 g/mol.
Where can I buy Ergonovine maleate?
You can request a quote for Ergonovine maleate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ergonovine maleate?
Yes, KEHONG BIO provides custom synthesis services for Ergonovine maleate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.