TL;DR: 1-(2,5-dimethoxyphenyl)-6-hydroxy-5-(7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one (CAS 1190239-09-8) is a chemical compound with molecular formula C20H19N3O6S and molecular weight 429.09946 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(2,5-dimethoxyphenyl)-6-hydroxy-5-(7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl)-2-sulfanylidenepyrimidin-4-one
Also Known As: 1-(2,5-dimethoxyphenyl)-6-hydroxy-5-(7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one, 1-(2,5-dimethoxyphenyl)-4,6-dihydroxy-5-(7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl)pyrimidine-2(1H)-thione, 1-(2,5-dimethoxyphenyl)-6-hydroxy-5-(7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl)-2-sulfanylidenepyrimidin-4-one
| Molecular Formula | C20H19N3O6S |
| Molecular Weight | 429.09946 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 145.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 429.09946 Da |
| Heavy Atoms | 30 |
| Complexity | 733.0 |
| SMILES | CC1=NC=C2COC(C2=C1O)C3=C(N(C(=S)NC3=O)C4=C(C=CC(=C4)OC)OC)O |
| InChIKey | JJQYWEPNOFPRIG-UHFFFAOYSA-N |
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2,5-dimethoxyphenyl)-6-hydroxy-5-(7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one. The TPSA of 145.0 Ų indicates high polarity, suggesting 1-(2,5-dimethoxyphenyl)-6-hydroxy-5-(7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-(2,5-dimethoxyphenyl)-6-hydroxy-5-(7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-(2,5-dimethoxyphenyl)-6-hydroxy-5-(7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one is 1190239-09-8.
The molecular formula of 1-(2,5-dimethoxyphenyl)-6-hydroxy-5-(7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one is C20H19N3O6S.
The molecular weight of 1-(2,5-dimethoxyphenyl)-6-hydroxy-5-(7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl)-2-thioxo-2,3-dihydropyrimidin-4(1H)-one is 429.09946 g/mol.
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