![2-[(6-Methylergolin-8-yl)methyl]-3-(morpholin-4-yl)-3-oxopropanenitrile structure](/static/products/746/74627-29-5.png)
2-[(6-Methylergolin-8-yl)methyl]-3-(morpholin-4-yl)-3-oxopropanenitrile
TL;DR: 2-[(6-Methylergolin-8-yl)methyl]-3-(morpholin-4-yl)-3-oxopropanenitrile (CAS 74627-29-5) is a chemical compound with molecular formula C23H28N4O2 and molecular weight 392.22 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-morpholin-4-yl-3-oxopropanenitrile
Also Known As: 6-Methyl-alpha-(morpholinocarbonyl)ergoline-8-beta-propionitrile, Ergoline-8-beta-propionitrile, 6-methyl-alpha-(morpholinocarbonyl)-, Morpholine, 4-(2-cyano-3-((8-beta)-6-methylergolin-8-yl)-1-oxopropyl)-, 2-[(6-Methylergolin-8-yl)methyl]-3-(morpholin-4-yl)-3-oxopropanenitrile, 4-(2-Cyano-3-((8beta)-6-methylergolin-8-yl)-1-oxopropyl)morpholine
| Molecular Formula | C23H28N4O2 |
|---|---|
| Molecular Weight | 392.22 g/mol |
| LogP | 2.51658 |
| Topological Polar Surface Area | 72.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 392.22122 |
| Heavy Atoms | 29 |
| Complexity | 955.42883 |
Chemical Identifiers
| CAS Number | 74627-29-5 |
|---|---|
| SMILES | CN1C[C@@H](CC2[C@H]1CC3=CNC4=CC=CC2=C34)CC(C#N)C(=O)N5CCOCC5 |
Product Overview
2-[(6-Methylergolin-8-yl)methyl]-3-(morpholin-4-yl)-3-oxopropanenitrile (CAS 74627-29-5), with molecular formula C23H28N4O2 and molecular weight 392.22 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-morpholin-4-yl-3-oxopropanenitrile.
Chemical Property Profile of 2-[(6-Methylergolin-8-yl)methyl]-3-(morpholin-4-yl)-3-oxopropanenitrile
Property Insights of 2-[(6-Methylergolin-8-yl)methyl]-3-(morpholin-4-yl)-3-oxopropanenitrile
The XLogP value of 2.51658 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(6-Methylergolin-8-yl)methyl]-3-(morpholin-4-yl)-3-oxopropanenitrile. The TPSA of 72.36 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(6-Methylergolin-8-yl)methyl]-3-(morpholin-4-yl)-3-oxopropanenitrile. Following Lipinski's Rule of Five, 2-[(6-Methylergolin-8-yl)methyl]-3-(morpholin-4-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-(morpholin-4-yl)-3-oxopropanenitrile?
The CAS number of 2-[(6-Methylergolin-8-yl)methyl]-3-(morpholin-4-yl)-3-oxopropanenitrile is 74627-29-5.
What is the molecular formula of 2-[(6-Methylergolin-8-yl)methyl]-3-(morpholin-4-yl)-3-oxopropanenitrile?
The molecular formula of 2-[(6-Methylergolin-8-yl)methyl]-3-(morpholin-4-yl)-3-oxopropanenitrile is C23H28N4O2.
What is the molecular weight of 2-[(6-Methylergolin-8-yl)methyl]-3-(morpholin-4-yl)-3-oxopropanenitrile?
The molecular weight of 2-[(6-Methylergolin-8-yl)methyl]-3-(morpholin-4-yl)-3-oxopropanenitrile is 392.22 g/mol.
Where can I buy 2-[(6-Methylergolin-8-yl)methyl]-3-(morpholin-4-yl)-3-oxopropanenitrile?
You can request a quote for 2-[(6-Methylergolin-8-yl)methyl]-3-(morpholin-4-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-(morpholin-4-yl)-3-oxopropanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(6-Methylergolin-8-yl)methyl]-3-(morpholin-4-yl)-3-oxopropanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.