4-oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl cinnamate
TL;DR: 4-oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl cinnamate (CAS 1321936-30-4) is a chemical compound with molecular formula C19H14N2O4S and molecular weight 366.0674 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[4-oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] (E)-3-phenylprop-2-enoate
Also Known As: 4-oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl cinnamate, F2510-0166, 4-oxo-6-[(pyrimidin-2-ylsulfanyl)methyl]-4H-pyran-3-yl (2E)-3-phenylprop-2-enoate, [4-oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] (E)-3-phenylprop-2-enoate, 4-Oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl 3-phenylacrylate
Technical Specifications
| Molecular Formula | C19H14N2O4S |
| Molecular Weight | 366.0674 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 366.0674 Da |
| Heavy Atoms | 26 |
| Complexity | 603.0 |
| SMILES | C1=CC=C(C=C1)/C=C/C(=O)OC2=COC(=CC2=O)CSC3=NC=CC=N3 |
| InChIKey | PCLUAMIJRTXRHI-BQYQJAHWSA-N |
Chemical Property Profile of 4-oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl cinnamate
Property Insights of 4-oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl cinnamate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl cinnamate. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl cinnamate. Following Lipinski's Rule of Five, 4-oxo-6-((pyrimidin-2-ylthio)methyl)-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 4-oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl cinnamate?
The CAS number of 4-oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl cinnamate is 1321936-30-4.
What is the molecular formula of 4-oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl cinnamate?
The molecular formula of 4-oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl cinnamate is C19H14N2O4S.
What is the molecular weight of 4-oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl cinnamate?
The molecular weight of 4-oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl cinnamate is 366.0674 g/mol.
Where can I buy 4-oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl cinnamate?
You can request a quote for 4-oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl cinnamate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl cinnamate?
Yes, CoreyChem provides custom synthesis services for 4-oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl cinnamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.