6-(((4,6-dimethylpyrimidin-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl cinnamate
TL;DR: 6-(((4,6-dimethylpyrimidin-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl cinnamate (CAS 1321931-94-5) is a chemical compound with molecular formula C21H18N2O4S and molecular weight 394.09872 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] (E)-3-phenylprop-2-enoate
Also Known As: F2510-0168, 6-(((4,6-dimethylpyrimidin-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl cinnamate, [6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-4-oxopyran-3-yl] (E)-3-phenylprop-2-enoate, 6-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-4-oxo-4H-pyran-3-yl (2E)-3-phenylprop-2-enoate, 6-[(4,6-dimethyl-2-pyrimidinylthio)methyl]-4-oxo-4H-pyran-3-yl (E)-cinnamate
Technical Specifications
| Molecular Formula | C21H18N2O4S |
| Molecular Weight | 394.09872 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 394.09872 Da |
| Heavy Atoms | 28 |
| Complexity | 657.0 |
| SMILES | CC1=CC(=NC(=N1)SCC2=CC(=O)C(=CO2)OC(=O)/C=C/C3=CC=CC=C3)C |
| InChIKey | MLQAACSZBFMCIB-CMDGGOBGSA-N |
Chemical Property Profile of 6-(((4,6-dimethylpyrimidin-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl cinnamate
Property Insights of 6-(((4,6-dimethylpyrimidin-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl cinnamate
The XLogP value of 3.6 indicates that 6-(((4,6-dimethylpyrimidin-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl cinnamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(((4,6-dimethylpyrimidin-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl cinnamate. Following Lipinski's Rule of Five, 6-(((4,6-dimethylpyrimidin-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl cinnamate has 0 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 6-(((4,6-dimethylpyrimidin-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl cinnamate?
The CAS number of 6-(((4,6-dimethylpyrimidin-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl cinnamate is 1321931-94-5.
What is the molecular formula of 6-(((4,6-dimethylpyrimidin-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl cinnamate?
The molecular formula of 6-(((4,6-dimethylpyrimidin-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl cinnamate is C21H18N2O4S.
What is the molecular weight of 6-(((4,6-dimethylpyrimidin-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl cinnamate?
The molecular weight of 6-(((4,6-dimethylpyrimidin-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl cinnamate is 394.09872 g/mol.
Where can I buy 6-(((4,6-dimethylpyrimidin-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl cinnamate?
You can request a quote for 6-(((4,6-dimethylpyrimidin-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl cinnamate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6-(((4,6-dimethylpyrimidin-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl cinnamate?
Yes, CoreyChem provides custom synthesis services for 6-(((4,6-dimethylpyrimidin-2-yl)thio)methyl)-4-oxo-4H-pyran-3-yl cinnamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.