![[4-Oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 3-nitrobenzoate structure](/static/products/877/877636-39-0.png)
[4-Oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 3-nitrobenzoate
TL;DR: [4-Oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 3-nitrobenzoate (CAS 877636-39-0) is a chemical compound with molecular formula C17H11N3O6S and molecular weight 385.04 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] 3-nitrobenzoate
Also Known As: AB00585731-02, 4-oxo-6-[(pyrimidin-2-ylsulfanyl)methyl]-4H-pyran-3-yl 3-nitrobenzoate, F2510-0121, [4-oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 3-nitrobenzoate, 4-oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl 3-nitrobenzoate
| Molecular Formula | C17H11N3O6S |
|---|---|
| Molecular Weight | 385.04 g/mol |
| LogP | 2.8495 |
| Topological Polar Surface Area | 125.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 385.03687 |
| Heavy Atoms | 27 |
| Complexity | 1038.0936 |
Chemical Identifiers
| CAS Number | 877636-39-0 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC2=COC(=CC2=O)CSC3=NC=CC=N3 |
Product Overview
[4-Oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 3-nitrobenzoate (CAS 877636-39-0), with molecular formula C17H11N3O6S and molecular weight 385.04 g/mol. IUPAC: [4-oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 3-nitrobenzoate.
Chemical Property Profile of [4-Oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 3-nitrobenzoate
Property Insights of [4-Oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 3-nitrobenzoate
The XLogP value of 2.8495 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [4-Oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 3-nitrobenzoate. The TPSA of 125.43 Ų falls within the moderate polarity range, balancing permeability and solubility for [4-Oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 3-nitrobenzoate. Following Lipinski's Rule of Five, [4-Oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 3-nitrobenzoate has 0 hydrogen bond donor(s) and 9 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] 3-nitrobenzoate?
The CAS number of [4-Oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 3-nitrobenzoate is 877636-39-0.
What is the molecular formula of [4-Oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 3-nitrobenzoate?
The molecular formula of [4-Oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 3-nitrobenzoate is C17H11N3O6S.
What is the molecular weight of [4-Oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 3-nitrobenzoate?
The molecular weight of [4-Oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 3-nitrobenzoate is 385.04 g/mol.
Where can I buy [4-Oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 3-nitrobenzoate?
You can request a quote for [4-Oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 3-nitrobenzoate 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] 3-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for [4-Oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 3-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.