(8-beta)-1-((6-Methylergolin-8-yl)methyl)-2,4(1H,3H)-pyrimidinedione N(sup 6)-oxide
TL;DR: (8-beta)-1-((6-Methylergolin-8-yl)methyl)-2,4(1H,3H)-pyrimidinedione N(sup 6)-oxide (CAS 121550-30-9) is a chemical compound with molecular formula C20H22N4O3 and molecular weight 366.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[(6aR,9S,10aR)-7-methyl-7-oxido-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-7-ium-9-yl]methyl]pyrimidine-2,4-dione
Also Known As: (8-beta)-1-((6-Methylergolin-8-yl)methyl)-2,4(1H,3H)-pyrimidinedione N(sup 6)-oxide, 1-((6-Methylergolin-8-beta-yl)methyl)-2,4(1H,3H)-dihydropyrimidinedione N6-oxide, 2,4(1H,3H)-Pyrimidinedione, 1-((6-methylergolin-8-yl)methyl)-, N(sup 6)-oxide, (8-beta)-, 4-Hydroxy-1-[(7-methyl-7-oxo-4,6,6a,7,8,9,10,10a-octahydro-7lambda~5~-indolo[4,3-fg]quinolin-9-yl)methyl]pyrimidin-2(1H)-one, 4-Hydroxy-1-{[(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]methyl}pyrimidin-2(1H)-one
| Molecular Formula | C20H22N4O3 |
|---|---|
| Molecular Weight | 366.17 g/mol |
| LogP | 1.6907 |
| Topological Polar Surface Area | 93.71 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 366.1692 |
| Heavy Atoms | 27 |
| Complexity | 1139.8246 |
Chemical Identifiers
| CAS Number | 121550-30-9 |
|---|---|
| SMILES | C[N+]1(C[C@@H](C[C@H]2[C@H]1CC3=CNC4=CC=CC2=C34)CN5C=CC(=O)NC5=O)[O-] |
Product Overview
(8-beta)-1-((6-Methylergolin-8-yl)methyl)-2,4(1H,3H)-pyrimidinedione N(sup 6)-oxide (CAS 121550-30-9), with molecular formula C20H22N4O3 and molecular weight 366.17 g/mol. IUPAC: 1-[[(6aR,9S,10aR)-7-methyl-7-oxido-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-7-ium-9-yl]methyl]pyrimidine-2,4-dione.
Chemical Property Profile of (8-beta)-1-((6-Methylergolin-8-yl)methyl)-2,4(1H,3H)-pyrimidinedione N(sup 6)-oxide
Property Insights of (8-beta)-1-((6-Methylergolin-8-yl)methyl)-2,4(1H,3H)-pyrimidinedione N(sup 6)-oxide
The XLogP value of 1.6907 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (8-beta)-1-((6-Methylergolin-8-yl)methyl)-2,4(1H,3H)-pyrimidinedione N(sup 6)-oxide. The TPSA of 93.71 Ų falls within the moderate polarity range, balancing permeability and solubility for (8-beta)-1-((6-Methylergolin-8-yl)methyl)-2,4(1H,3H)-pyrimidinedione N(sup 6)-oxide. Following Lipinski's Rule of Five, (8-beta)-1-((6-Methylergolin-8-yl)methyl)-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
Frequently Asked Questions
What is the CAS number of (8-beta)-1-((6-Methylergolin-8-yl)methyl)-2,4(1H,3H)-pyrimidinedione N(sup 6)-oxide?
The CAS number of (8-beta)-1-((6-Methylergolin-8-yl)methyl)-2,4(1H,3H)-pyrimidinedione N(sup 6)-oxide is 121550-30-9.
What is the molecular formula of (8-beta)-1-((6-Methylergolin-8-yl)methyl)-2,4(1H,3H)-pyrimidinedione N(sup 6)-oxide?
The molecular formula of (8-beta)-1-((6-Methylergolin-8-yl)methyl)-2,4(1H,3H)-pyrimidinedione N(sup 6)-oxide is C20H22N4O3.
What is the molecular weight of (8-beta)-1-((6-Methylergolin-8-yl)methyl)-2,4(1H,3H)-pyrimidinedione N(sup 6)-oxide?
The molecular weight of (8-beta)-1-((6-Methylergolin-8-yl)methyl)-2,4(1H,3H)-pyrimidinedione N(sup 6)-oxide is 366.17 g/mol.
Where can I buy (8-beta)-1-((6-Methylergolin-8-yl)methyl)-2,4(1H,3H)-pyrimidinedione N(sup 6)-oxide?
You can request a quote for (8-beta)-1-((6-Methylergolin-8-yl)methyl)-2,4(1H,3H)-pyrimidinedione N(sup 6)-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (8-beta)-1-((6-Methylergolin-8-yl)methyl)-2,4(1H,3H)-pyrimidinedione N(sup 6)-oxide?
Yes, KEHONG BIO provides custom synthesis services for (8-beta)-1-((6-Methylergolin-8-yl)methyl)-2,4(1H,3H)-pyrimidinedione N(sup 6)-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.