4-oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl 2-fluorobenzoate
TL;DR: 4-oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl 2-fluorobenzoate (CAS 877636-12-9) is a chemical compound with molecular formula C17H11FN2O4S and molecular weight 358.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 2-fluorobenzoate
Also Known As: 4-oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl 2-fluorobenzoate, [4-oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 2-fluorobenzoate, 4-oxo-6-[(pyrimidin-2-ylsulfanyl)methyl]-4H-pyran-3-yl 2-fluorobenzoate, F2510-0067
| Molecular Formula | C17H11FN2O4S |
|---|---|
| Molecular Weight | 358.04 g/mol |
| LogP | 3.0804 |
| Topological Polar Surface Area | 82.29 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 358.04236 |
| Heavy Atoms | 25 |
| Complexity | 946.6328 |
Chemical Identifiers
| CAS Number | 877636-12-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)OC2=COC(=CC2=O)CSC3=NC=CC=N3)F |
Product Overview
4-oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl 2-fluorobenzoate (CAS 877636-12-9), with molecular formula C17H11FN2O4S and molecular weight 358.04 g/mol. IUPAC: [4-oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 2-fluorobenzoate.
Chemical Property Profile of 4-oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl 2-fluorobenzoate
Property Insights of 4-oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl 2-fluorobenzoate
The XLogP value of 3.0804 indicates that 4-oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl 2-fluorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl 2-fluorobenzoate. Following Lipinski's Rule of Five, 4-oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl 2-fluorobenzoate 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
Frequently Asked Questions
What is the CAS number of 4-oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl 2-fluorobenzoate?
The CAS number of 4-oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl 2-fluorobenzoate is 877636-12-9.
What is the molecular formula of 4-oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl 2-fluorobenzoate?
The molecular formula of 4-oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl 2-fluorobenzoate is C17H11FN2O4S.
What is the molecular weight of 4-oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl 2-fluorobenzoate?
The molecular weight of 4-oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl 2-fluorobenzoate is 358.04 g/mol.
Where can I buy 4-oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl 2-fluorobenzoate?
You can request a quote for 4-oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl 2-fluorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl 2-fluorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl 2-fluorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.