(8-beta)-1-(2-(6-Methylergolin-8-yl)ethyl)-2,4(1H,3H)-pyrimidinedione N(sup 6)-oxide
TL;DR: (8-beta)-1-(2-(6-Methylergolin-8-yl)ethyl)-2,4(1H,3H)-pyrimidinedione N(sup 6)-oxide (CAS 121532-45-4) is a chemical compound with molecular formula C21H24N4O3 and molecular weight 380.18484 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[2-[(6aR,9S,10aR)-7-methyl-7-oxido-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-7-ium-9-yl]ethyl]pyrimidine-2,4-dione
Also Known As: (8-beta)-1-(2-(6-Methylergolin-8-yl)ethyl)-2,4(1H,3H)-pyrimidinedione N(sup 6)-oxide, 1-((6-Methylergolin-8-beta-yl)ethyl)-2,4-(1H,3H)-dihydropyrimidinedione-N6-oxide, 2,4(1H,3H)-Pyrimidinedione, 1-(2-(6-methylergolin-8-yl)ethyl)-, N(sup 6)-oxide, (8-beta)-, 4-Hydroxy-1-[2-(7-methyl-7-oxo-4,6,6a,7,8,9,10,10a-octahydro-7lambda~5~-indolo[4,3-fg]quinolin-9-yl)ethyl]pyrimidin-2(1H)-one, 4-Hydroxy-1-{2-[(6aR,9S,10aR)-7-methyl-7-oxo-4,6,6a,7,8,9,10,10a-octahydro-7lambda~5~-indolo[4,3-fg]quinolin-9-yl]ethyl}pyrimidin-2(1H)-one
Technical Specifications
| Molecular Formula | C21H24N4O3 |
| Molecular Weight | 380.18484 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 83.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 380.18484 Da |
| Heavy Atoms | 28 |
| Complexity | 697.0 |
| SMILES | C[N+]1(C[C@@H](C[C@H]2[C@H]1CC3=CNC4=CC=CC2=C34)CCN5C=CC(=O)NC5=O)[O-] |
| InChIKey | KJZSPMYOFNESJN-FIGSNXMJSA-N |
Chemical Property Profile of (8-beta)-1-(2-(6-Methylergolin-8-yl)ethyl)-2,4(1H,3H)-pyrimidinedione N(sup 6)-oxide
Property Insights of (8-beta)-1-(2-(6-Methylergolin-8-yl)ethyl)-2,4(1H,3H)-pyrimidinedione N(sup 6)-oxide
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (8-beta)-1-(2-(6-Methylergolin-8-yl)ethyl)-2,4(1H,3H)-pyrimidinedione N(sup 6)-oxide. The TPSA of 83.3 Ų falls within the moderate polarity range, balancing permeability and solubility for (8-beta)-1-(2-(6-Methylergolin-8-yl)ethyl)-2,4(1H,3H)-pyrimidinedione N(sup 6)-oxide. Following Lipinski's Rule of Five, (8-beta)-1-(2-(6-Methylergolin-8-yl)ethyl)-2,4(1H,3H)-pyrimidinedione N(sup 6)-oxide has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (8-beta)-1-(2-(6-Methylergolin-8-yl)ethyl)-2,4(1H,3H)-pyrimidinedione N(sup 6)-oxide?
The CAS number of (8-beta)-1-(2-(6-Methylergolin-8-yl)ethyl)-2,4(1H,3H)-pyrimidinedione N(sup 6)-oxide is 121532-45-4.
What is the molecular formula of (8-beta)-1-(2-(6-Methylergolin-8-yl)ethyl)-2,4(1H,3H)-pyrimidinedione N(sup 6)-oxide?
The molecular formula of (8-beta)-1-(2-(6-Methylergolin-8-yl)ethyl)-2,4(1H,3H)-pyrimidinedione N(sup 6)-oxide is C21H24N4O3.
What is the molecular weight of (8-beta)-1-(2-(6-Methylergolin-8-yl)ethyl)-2,4(1H,3H)-pyrimidinedione N(sup 6)-oxide?
The molecular weight of (8-beta)-1-(2-(6-Methylergolin-8-yl)ethyl)-2,4(1H,3H)-pyrimidinedione N(sup 6)-oxide is 380.18484 g/mol.
Where can I buy (8-beta)-1-(2-(6-Methylergolin-8-yl)ethyl)-2,4(1H,3H)-pyrimidinedione N(sup 6)-oxide?
You can request a quote for (8-beta)-1-(2-(6-Methylergolin-8-yl)ethyl)-2,4(1H,3H)-pyrimidinedione N(sup 6)-oxide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (8-beta)-1-(2-(6-Methylergolin-8-yl)ethyl)-2,4(1H,3H)-pyrimidinedione N(sup 6)-oxide?
Yes, CoreyChem provides custom synthesis services for (8-beta)-1-(2-(6-Methylergolin-8-yl)ethyl)-2,4(1H,3H)-pyrimidinedione N(sup 6)-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.