![2-[(6-Methylergolin-8-yl)methyl]-3-(4-methylpiperazin-1-yl)-3-oxopropanenitrile structure](/static/products/746/74627-31-9.png)
2-[(6-Methylergolin-8-yl)methyl]-3-(4-methylpiperazin-1-yl)-3-oxopropanenitrile
TL;DR: 2-[(6-Methylergolin-8-yl)methyl]-3-(4-methylpiperazin-1-yl)-3-oxopropanenitrile (CAS 74627-31-9) is a chemical compound with molecular formula C24H31N5O and molecular weight 405.25 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-(4-methylpiperazin-1-yl)-3-oxopropanenitrile
Also Known As: 6-Methyl-alpha-(4-methyl-1-piperazinylcarbonyl)ergoline-8-beta-propionitrile, 2-[(6-Methylergolin-8-yl)methyl]-3-(4-methylpiperazin-1-yl)-3-oxopropanenitrile, Ergoline-8-beta-propionitrile, 6-methyl-alpha-(4-methyl-1-piperazinylcarbonyl)-, Piperazine, 1-(2-cyano-3-((8-beta)-6-ethylergolin-8-yl)-1-oxopropyl)-4-methyl-, 2-{[(10xi)-6-Methylergolin-8beta-yl]methyl}-3-(4-methylpiperazin-1-yl)-3-oxopropanenitrile
| Molecular Formula | C24H31N5O |
|---|---|
| Molecular Weight | 405.25 g/mol |
| LogP | 2.43178 |
| Topological Polar Surface Area | 66.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 405.25287 |
| Heavy Atoms | 30 |
| Complexity | 983.133 |
Chemical Identifiers
| CAS Number | 74627-31-9 |
|---|---|
| SMILES | CN1CCN(CC1)C(=O)C(C[C@@H]2CC3[C@@H](CC4=CNC5=CC=CC3=C45)N(C2)C)C#N |
Product Overview
2-[(6-Methylergolin-8-yl)methyl]-3-(4-methylpiperazin-1-yl)-3-oxopropanenitrile (CAS 74627-31-9), with molecular formula C24H31N5O and molecular weight 405.25 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-(4-methylpiperazin-1-yl)-3-oxopropanenitrile.
Chemical Property Profile of 2-[(6-Methylergolin-8-yl)methyl]-3-(4-methylpiperazin-1-yl)-3-oxopropanenitrile
Property Insights of 2-[(6-Methylergolin-8-yl)methyl]-3-(4-methylpiperazin-1-yl)-3-oxopropanenitrile
The XLogP value of 2.43178 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(6-Methylergolin-8-yl)methyl]-3-(4-methylpiperazin-1-yl)-3-oxopropanenitrile. The TPSA of 66.37 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(6-Methylergolin-8-yl)methyl]-3-(4-methylpiperazin-1-yl)-3-oxopropanenitrile. Following Lipinski's Rule of Five, 2-[(6-Methylergolin-8-yl)methyl]-3-(4-methylpiperazin-1-yl)-3-oxopropanenitrile has 1 hydrogen bond donor(s) and 4 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 2-[(6-Methylergolin-8-yl)methyl]-3-(4-methylpiperazin-1-yl)-3-oxopropanenitrile?
The CAS number of 2-[(6-Methylergolin-8-yl)methyl]-3-(4-methylpiperazin-1-yl)-3-oxopropanenitrile is 74627-31-9.
What is the molecular formula of 2-[(6-Methylergolin-8-yl)methyl]-3-(4-methylpiperazin-1-yl)-3-oxopropanenitrile?
The molecular formula of 2-[(6-Methylergolin-8-yl)methyl]-3-(4-methylpiperazin-1-yl)-3-oxopropanenitrile is C24H31N5O.
What is the molecular weight of 2-[(6-Methylergolin-8-yl)methyl]-3-(4-methylpiperazin-1-yl)-3-oxopropanenitrile?
The molecular weight of 2-[(6-Methylergolin-8-yl)methyl]-3-(4-methylpiperazin-1-yl)-3-oxopropanenitrile is 405.25 g/mol.
Where can I buy 2-[(6-Methylergolin-8-yl)methyl]-3-(4-methylpiperazin-1-yl)-3-oxopropanenitrile?
You can request a quote for 2-[(6-Methylergolin-8-yl)methyl]-3-(4-methylpiperazin-1-yl)-3-oxopropanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(6-Methylergolin-8-yl)methyl]-3-(4-methylpiperazin-1-yl)-3-oxopropanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(6-Methylergolin-8-yl)methyl]-3-(4-methylpiperazin-1-yl)-3-oxopropanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.