5-(4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)-6-hydroxy-2-thioxo-1-(p-tolyl)-2,3-dihydropyrimidin-4(1H)-one
TL;DR: 5-(4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)-6-hydroxy-2-thioxo-1-(p-tolyl)-2,3-dihydropyrimidin-4(1H)-one (CAS 1190257-75-0) is a chemical compound with molecular formula C21H18N2O6S and molecular weight 426.08856 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)-6-hydroxy-1-(4-methylphenyl)-2-sulfanylidenepyrimidin-4-one
Also Known As: 5-(4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)-6-hydroxy-2-thioxo-1-(p-tolyl)-2,3-dihydropyrimidin-4(1H)-one, 5-(4,5-dimethoxy-3-oxo-1,3-dihydro-2-benzofuran-1-yl)-6-hydroxy-1-(4-methylphenyl)-2-sulfanylpyrimidin-4(1H)-one, 5-(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)-6-hydroxy-1-(4-methylphenyl)-2-sulfanylidenepyrimidin-4-one
Technical Specifications
| Molecular Formula | C21H18N2O6S |
| Molecular Weight | 426.08856 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 129.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 426.08856 Da |
| Heavy Atoms | 30 |
| Complexity | 763.0 |
| SMILES | CC1=CC=C(C=C1)N2C(=C(C(=O)NC2=S)C3C4=C(C(=C(C=C4)OC)OC)C(=O)O3)O |
| InChIKey | RZUSSKFFHHTAOX-UHFFFAOYSA-N |
Chemical Property Profile of 5-(4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)-6-hydroxy-2-thioxo-1-(p-tolyl)-2,3-dihydropyrimidin-4(1H)-one
Property Insights of 5-(4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)-6-hydroxy-2-thioxo-1-(p-tolyl)-2,3-dihydropyrimidin-4(1H)-one
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)-6-hydroxy-2-thioxo-1-(p-tolyl)-2,3-dihydropyrimidin-4(1H)-one. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)-6-hydroxy-2-thioxo-1-(p-tolyl)-2,3-dihydropyrimidin-4(1H)-one. Following Lipinski's Rule of Five, 5-(4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)-6-hydroxy-2-thioxo-1-(p-tolyl)-2,3-dihydropyrimidin-4(1H)-one has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-(4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)-6-hydroxy-2-thioxo-1-(p-tolyl)-2,3-dihydropyrimidin-4(1H)-one?
The CAS number of 5-(4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)-6-hydroxy-2-thioxo-1-(p-tolyl)-2,3-dihydropyrimidin-4(1H)-one is 1190257-75-0.
What is the molecular formula of 5-(4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)-6-hydroxy-2-thioxo-1-(p-tolyl)-2,3-dihydropyrimidin-4(1H)-one?
The molecular formula of 5-(4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)-6-hydroxy-2-thioxo-1-(p-tolyl)-2,3-dihydropyrimidin-4(1H)-one is C21H18N2O6S.
What is the molecular weight of 5-(4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)-6-hydroxy-2-thioxo-1-(p-tolyl)-2,3-dihydropyrimidin-4(1H)-one?
The molecular weight of 5-(4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)-6-hydroxy-2-thioxo-1-(p-tolyl)-2,3-dihydropyrimidin-4(1H)-one is 426.08856 g/mol.
Where can I buy 5-(4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)-6-hydroxy-2-thioxo-1-(p-tolyl)-2,3-dihydropyrimidin-4(1H)-one?
You can request a quote for 5-(4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)-6-hydroxy-2-thioxo-1-(p-tolyl)-2,3-dihydropyrimidin-4(1H)-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-(4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)-6-hydroxy-2-thioxo-1-(p-tolyl)-2,3-dihydropyrimidin-4(1H)-one?
Yes, CoreyChem provides custom synthesis services for 5-(4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)-6-hydroxy-2-thioxo-1-(p-tolyl)-2,3-dihydropyrimidin-4(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.