TL;DR: 6-hydroxy-5-(7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl)-1,3-dimethyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one (CAS 1189863-09-9) is a chemical compound with molecular formula C14H15N3O4S and molecular weight 321.07834 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-hydroxy-5-(7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl)-1,3-dimethyl-2-sulfanylidenepyrimidin-4-one
Also Known As: 6-hydroxy-5-(7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl)-1,3-dimethyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one, 6-hydroxy-5-(7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl)-1,3-dimethyl-2-sulfanylidenepyrimidin-4-one
| Molecular Formula | C14H15N3O4S |
| Molecular Weight | 321.07834 g/mol |
| XLogP | -0.3 |
| Topological Polar Surface Area (TPSA) | 118.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 321.07834 Da |
| Heavy Atoms | 22 |
| Complexity | 552.0 |
| SMILES | CC1=NC=C2COC(C2=C1O)C3=C(N(C(=S)N(C3=O)C)C)O |
| InChIKey | CNVMFUBBVIQIQW-UHFFFAOYSA-N |
The XLogP value of -0.3 indicates that 6-hydroxy-5-(7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl)-1,3-dimethyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-hydroxy-5-(7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl)-1,3-dimethyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one. Following Lipinski's Rule of Five, 6-hydroxy-5-(7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl)-1,3-dimethyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 6-hydroxy-5-(7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl)-1,3-dimethyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one is 1189863-09-9.
The molecular formula of 6-hydroxy-5-(7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl)-1,3-dimethyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one is C14H15N3O4S.
The molecular weight of 6-hydroxy-5-(7-hydroxy-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-1-yl)-1,3-dimethyl-2-thioxo-2,3-dihydropyrimidin-4(1H)-one is 321.07834 g/mol.
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