Ergoline-8-beta-propionitrile, 6-methyl-alpha-(piperidinocarbonyl)-
TL;DR: Ergoline-8-beta-propionitrile, 6-methyl-alpha-(piperidinocarbonyl)- (CAS 74627-34-2) is a chemical compound with molecular formula C24H30N4O and molecular weight 390.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[(6aR,9S)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]-3-oxo-3-piperidin-1-ylpropanenitrile
Also Known As: 6-Methyl-alpha-(piperidinocarbonyl)ergoline-8-beta-propionitrile, Ergoline-8-beta-propionitrile, 6-methyl-alpha-(piperidinocarbonyl)-, Piperidine, 1-(2-cyano-3-((8-beta)-6-methylergolin-8-yl)-1-oxopropyl)-, 2-[(6-Methylergolin-8-yl)methyl]-3-oxo-3-(piperidin-1-yl)propanenitrile, 2-{[(10xi)-6-Methylergolin-8beta-yl]methyl}-3-oxo-3-(piperidin-1-yl)propanenitrile
| Molecular Formula | C24H30N4O |
|---|---|
| Molecular Weight | 390.24 g/mol |
| LogP | 3.67028 |
| Topological Polar Surface Area | 63.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 390.24197 |
| Heavy Atoms | 29 |
| Complexity | 951.43164 |
Chemical Identifiers
| CAS Number | 74627-34-2 |
|---|---|
| SMILES | CN1C[C@@H](CC2[C@H]1CC3=CNC4=CC=CC2=C34)CC(C#N)C(=O)N5CCCCC5 |
Product Overview
Ergoline-8-beta-propionitrile, 6-methyl-alpha-(piperidinocarbonyl)- (CAS 74627-34-2), with molecular formula C24H30N4O and molecular weight 390.24 g/mol. IUPAC: 2-[[(6aR,9S)-7-methyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]-3-oxo-3-piperidin-1-ylpropanenitrile.
Chemical Property Profile of Ergoline-8-beta-propionitrile, 6-methyl-alpha-(piperidinocarbonyl)-
Property Insights of Ergoline-8-beta-propionitrile, 6-methyl-alpha-(piperidinocarbonyl)-
The XLogP value of 3.67028 indicates that Ergoline-8-beta-propionitrile, 6-methyl-alpha-(piperidinocarbonyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.13 Ų falls within the moderate polarity range, balancing permeability and solubility for Ergoline-8-beta-propionitrile, 6-methyl-alpha-(piperidinocarbonyl)-. Following Lipinski's Rule of Five, Ergoline-8-beta-propionitrile, 6-methyl-alpha-(piperidinocarbonyl)- has 1 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 Ergoline-8-beta-propionitrile, 6-methyl-alpha-(piperidinocarbonyl)-?
The CAS number of Ergoline-8-beta-propionitrile, 6-methyl-alpha-(piperidinocarbonyl)- is 74627-34-2.
What is the molecular formula of Ergoline-8-beta-propionitrile, 6-methyl-alpha-(piperidinocarbonyl)-?
The molecular formula of Ergoline-8-beta-propionitrile, 6-methyl-alpha-(piperidinocarbonyl)- is C24H30N4O.
What is the molecular weight of Ergoline-8-beta-propionitrile, 6-methyl-alpha-(piperidinocarbonyl)-?
The molecular weight of Ergoline-8-beta-propionitrile, 6-methyl-alpha-(piperidinocarbonyl)- is 390.24 g/mol.
Where can I buy Ergoline-8-beta-propionitrile, 6-methyl-alpha-(piperidinocarbonyl)-?
You can request a quote for Ergoline-8-beta-propionitrile, 6-methyl-alpha-(piperidinocarbonyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ergoline-8-beta-propionitrile, 6-methyl-alpha-(piperidinocarbonyl)-?
Yes, KEHONG BIO provides custom synthesis services for Ergoline-8-beta-propionitrile, 6-methyl-alpha-(piperidinocarbonyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.