![[4-Oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] benzoate structure](/static/products/877/877635-22-8.png)
[4-Oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] benzoate
TL;DR: [4-Oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] benzoate (CAS 877635-22-8) is a chemical compound with molecular formula C17H12N2O4S and molecular weight 340.05 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] benzoate
Also Known As: AB00687510-01, 4-oxo-6-[(pyrimidin-2-ylsulfanyl)methyl]-4H-pyran-3-yl benzoate, [4-oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] benzoate, 4-oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl benzoate, F2510-0001
| Molecular Formula | C17H12N2O4S |
|---|---|
| Molecular Weight | 340.05 g/mol |
| LogP | 2.9413 |
| Topological Polar Surface Area | 82.29 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 340.0518 |
| Heavy Atoms | 24 |
| Complexity | 881.85223 |
Chemical Identifiers
| CAS Number | 877635-22-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OC2=COC(=CC2=O)CSC3=NC=CC=N3 |
Product Overview
[4-Oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] benzoate (CAS 877635-22-8), with molecular formula C17H12N2O4S and molecular weight 340.05 g/mol. IUPAC: [4-oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] benzoate.
Chemical Property Profile of [4-Oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] benzoate
Property Insights of [4-Oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] benzoate
The XLogP value of 2.9413 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [4-Oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] benzoate. The TPSA of 82.29 Ų falls within the moderate polarity range, balancing permeability and solubility for [4-Oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] benzoate. Following Lipinski's Rule of Five, [4-Oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] benzoate 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-ylsulfanylmethyl)pyran-3-yl] benzoate?
The CAS number of [4-Oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] benzoate is 877635-22-8.
What is the molecular formula of [4-Oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] benzoate?
The molecular formula of [4-Oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] benzoate is C17H12N2O4S.
What is the molecular weight of [4-Oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] benzoate?
The molecular weight of [4-Oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] benzoate is 340.05 g/mol.
Where can I buy [4-Oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] benzoate?
You can request a quote for [4-Oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] benzoate 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-ylsulfanylmethyl)pyran-3-yl] benzoate?
Yes, KEHONG BIO provides custom synthesis services for [4-Oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.