4-(4-Hydroxypyrimidin-5-yl)-3,4-dihydro-1-benzothiopyran-1,1(2H)-dione
TL;DR: 4-(4-Hydroxypyrimidin-5-yl)-3,4-dihydro-1-benzothiopyran-1,1(2H)-dione (CAS 153004-52-5) is a chemical compound with molecular formula C13H12N2O3S and molecular weight 276.05685 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)-1H-pyrimidin-6-one
Also Known As: 5-(3,4-Dihydro-2H-1-benzothiopyran-4-yl)-4(1H)-pyrimidinone S,S-dioxide, 4(1H)-Pyrimidinone, 5-(3,4-dihydro-2H-1-benzothiopyran-4-yl)-, S,S-dioxide, 4-(4-Hydroxypyrimidin-5-yl)-3,4-dihydro-1-benzothiopyran-1,1(2H)-dione, 5-(1,1-dioxo-3,4-dihydro-2H-thiochromen-4-yl)-1H-pyrimidin-6-one, 4-(4-Hydroxypyrimidin-5-yl)-3,4-dihydro-1lambda~6~-benzothiopyran-1,1(2H)-dione
Technical Specifications
| Molecular Formula | C13H12N2O3S |
| Molecular Weight | 276.05685 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 84.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 276.05685 Da |
| Heavy Atoms | 19 |
| Complexity | 545.0 |
| SMILES | C1CS(=O)(=O)C2=CC=CC=C2C1C3=CN=CNC3=O |
| InChIKey | LUTJILCNBNDOMZ-UHFFFAOYSA-N |
Chemical Property Profile of 4-(4-Hydroxypyrimidin-5-yl)-3,4-dihydro-1-benzothiopyran-1,1(2H)-dione
Property Insights of 4-(4-Hydroxypyrimidin-5-yl)-3,4-dihydro-1-benzothiopyran-1,1(2H)-dione
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-Hydroxypyrimidin-5-yl)-3,4-dihydro-1-benzothiopyran-1,1(2H)-dione. The TPSA of 84.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-Hydroxypyrimidin-5-yl)-3,4-dihydro-1-benzothiopyran-1,1(2H)-dione. Following Lipinski's Rule of Five, 4-(4-Hydroxypyrimidin-5-yl)-3,4-dihydro-1-benzothiopyran-1,1(2H)-dione has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-(4-Hydroxypyrimidin-5-yl)-3,4-dihydro-1-benzothiopyran-1,1(2H)-dione?
The CAS number of 4-(4-Hydroxypyrimidin-5-yl)-3,4-dihydro-1-benzothiopyran-1,1(2H)-dione is 153004-52-5.
What is the molecular formula of 4-(4-Hydroxypyrimidin-5-yl)-3,4-dihydro-1-benzothiopyran-1,1(2H)-dione?
The molecular formula of 4-(4-Hydroxypyrimidin-5-yl)-3,4-dihydro-1-benzothiopyran-1,1(2H)-dione is C13H12N2O3S.
What is the molecular weight of 4-(4-Hydroxypyrimidin-5-yl)-3,4-dihydro-1-benzothiopyran-1,1(2H)-dione?
The molecular weight of 4-(4-Hydroxypyrimidin-5-yl)-3,4-dihydro-1-benzothiopyran-1,1(2H)-dione is 276.05685 g/mol.
Where can I buy 4-(4-Hydroxypyrimidin-5-yl)-3,4-dihydro-1-benzothiopyran-1,1(2H)-dione?
You can request a quote for 4-(4-Hydroxypyrimidin-5-yl)-3,4-dihydro-1-benzothiopyran-1,1(2H)-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(4-Hydroxypyrimidin-5-yl)-3,4-dihydro-1-benzothiopyran-1,1(2H)-dione?
Yes, CoreyChem provides custom synthesis services for 4-(4-Hydroxypyrimidin-5-yl)-3,4-dihydro-1-benzothiopyran-1,1(2H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.