1-((6-Methyl-delta-9,10-ergolen-8-beta-yl)methyl)-2,4(1H,3H)-dihydropyrimidinedione N6-oxide
TL;DR: 1-((6-Methyl-delta-9,10-ergolen-8-beta-yl)methyl)-2,4(1H,3H)-dihydropyrimidinedione N6-oxide (CAS 121532-42-1) is a chemical compound with molecular formula C20H20N4O3 and molecular weight 364.15353 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[[(6aR,9S)-7-methyl-7-oxido-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-7-ium-9-yl]methyl]pyrimidine-2,4-dione
Also Known As: 1-((6-Methyl-delta-9,10-ergolen-8-beta-yl)methyl)-2,4(1H,3H)-dihydropyrimidinedione N6-oxide, 2,4(1H,3H)-Pyrimidinedione, 1-((9,10-didehydro-6-methylergolin-8-yl)methyl)-, N(sup 6)-oxide, 8-beta-, 4-Hydroxy-1-[(7-methyl-7-oxo-4,6,6a,7,8,9-hexahydro-7lambda~5~-indolo[4,3-fg]quinolin-9-yl)methyl]pyrimidin-2(1H)-one, 4-Hydroxy-1-{[(6aR,9S)-7-methyl-7-oxo-4,6,6a,7,8,9-hexahydro-7lambda~5~-indolo[4,3-fg]quinolin-9-yl]methyl}pyrimidin-2(1H)-one
Technical Specifications
| Molecular Formula | C20H20N4O3 |
| Molecular Weight | 364.15353 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 83.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 364.15353 Da |
| Heavy Atoms | 27 |
| Complexity | 735.0 |
| SMILES | C[N+]1(C[C@@H](C=C2[C@H]1CC3=CNC4=CC=CC2=C34)CN5C=CC(=O)NC5=O)[O-] |
| InChIKey | AGIGDXIBVLOVGS-MRWNPYHFSA-N |
Chemical Property Profile of 1-((6-Methyl-delta-9,10-ergolen-8-beta-yl)methyl)-2,4(1H,3H)-dihydropyrimidinedione N6-oxide
Property Insights of 1-((6-Methyl-delta-9,10-ergolen-8-beta-yl)methyl)-2,4(1H,3H)-dihydropyrimidinedione N6-oxide
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-((6-Methyl-delta-9,10-ergolen-8-beta-yl)methyl)-2,4(1H,3H)-dihydropyrimidinedione N6-oxide. The TPSA of 83.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-((6-Methyl-delta-9,10-ergolen-8-beta-yl)methyl)-2,4(1H,3H)-dihydropyrimidinedione N6-oxide. Following Lipinski's Rule of Five, 1-((6-Methyl-delta-9,10-ergolen-8-beta-yl)methyl)-2,4(1H,3H)-dihydropyrimidinedione N6-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 1-((6-Methyl-delta-9,10-ergolen-8-beta-yl)methyl)-2,4(1H,3H)-dihydropyrimidinedione N6-oxide?
The CAS number of 1-((6-Methyl-delta-9,10-ergolen-8-beta-yl)methyl)-2,4(1H,3H)-dihydropyrimidinedione N6-oxide is 121532-42-1.
What is the molecular formula of 1-((6-Methyl-delta-9,10-ergolen-8-beta-yl)methyl)-2,4(1H,3H)-dihydropyrimidinedione N6-oxide?
The molecular formula of 1-((6-Methyl-delta-9,10-ergolen-8-beta-yl)methyl)-2,4(1H,3H)-dihydropyrimidinedione N6-oxide is C20H20N4O3.
What is the molecular weight of 1-((6-Methyl-delta-9,10-ergolen-8-beta-yl)methyl)-2,4(1H,3H)-dihydropyrimidinedione N6-oxide?
The molecular weight of 1-((6-Methyl-delta-9,10-ergolen-8-beta-yl)methyl)-2,4(1H,3H)-dihydropyrimidinedione N6-oxide is 364.15353 g/mol.
Where can I buy 1-((6-Methyl-delta-9,10-ergolen-8-beta-yl)methyl)-2,4(1H,3H)-dihydropyrimidinedione N6-oxide?
You can request a quote for 1-((6-Methyl-delta-9,10-ergolen-8-beta-yl)methyl)-2,4(1H,3H)-dihydropyrimidinedione N6-oxide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-((6-Methyl-delta-9,10-ergolen-8-beta-yl)methyl)-2,4(1H,3H)-dihydropyrimidinedione N6-oxide?
Yes, CoreyChem provides custom synthesis services for 1-((6-Methyl-delta-9,10-ergolen-8-beta-yl)methyl)-2,4(1H,3H)-dihydropyrimidinedione N6-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.