4-oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl 2-phenoxyacetate
TL;DR: 4-oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl 2-phenoxyacetate (CAS 877636-97-0) is a chemical compound with molecular formula C18H14N2O5S and molecular weight 370.06 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-phenoxyacetate
Also Known As: AB00687557-01, 4-oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl 2-phenoxyacetate, [4-oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 2-phenoxyacetate, F2510-0178, 4-oxo-6-[(pyrimidin-2-ylsulfanyl)methyl]-4H-pyran-3-yl 2-phenoxyacetate
| Molecular Formula | C18H14N2O5S |
|---|---|
| Molecular Weight | 370.06 g/mol |
| LogP | 2.7065 |
| Topological Polar Surface Area | 91.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 370.06235 |
| Heavy Atoms | 26 |
| Complexity | 915.6244 |
Chemical Identifiers
| CAS Number | 877636-97-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)OCC(=O)OC2=COC(=CC2=O)CSC3=NC=CC=N3 |
Product Overview
4-oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl 2-phenoxyacetate (CAS 877636-97-0), with molecular formula C18H14N2O5S and molecular weight 370.06 g/mol. IUPAC: [4-oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 2-phenoxyacetate.
Chemical Property Profile of 4-oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl 2-phenoxyacetate
Property Insights of 4-oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl 2-phenoxyacetate
The XLogP value of 2.7065 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl 2-phenoxyacetate. The TPSA of 91.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl 2-phenoxyacetate. Following Lipinski's Rule of Five, 4-oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl 2-phenoxyacetate has 0 hydrogen bond donor(s) and 8 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-phenoxyacetate?
The CAS number of 4-oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl 2-phenoxyacetate is 877636-97-0.
What is the molecular formula of 4-oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl 2-phenoxyacetate?
The molecular formula of 4-oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl 2-phenoxyacetate is C18H14N2O5S.
What is the molecular weight of 4-oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl 2-phenoxyacetate?
The molecular weight of 4-oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl 2-phenoxyacetate is 370.06 g/mol.
Where can I buy 4-oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl 2-phenoxyacetate?
You can request a quote for 4-oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl 2-phenoxyacetate 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-phenoxyacetate?
Yes, KEHONG BIO provides custom synthesis services for 4-oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl 2-phenoxyacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.