![[4-Oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 2-methyl-3-nitrobenzoate structure](/static/products/877/877636-45-8.png)
[4-Oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 2-methyl-3-nitrobenzoate
TL;DR: [4-Oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 2-methyl-3-nitrobenzoate (CAS 877636-45-8) is a chemical compound with molecular formula C18H13N3O6S and molecular weight 399.05 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] 2-methyl-3-nitrobenzoate
Also Known As: F2510-0127, [4-oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 2-methyl-3-nitrobenzoate, 4-oxo-6-((pyrimidin-2-ylthio)methyl)-4H-pyran-3-yl 2-methyl-3-nitrobenzoate, 4-oxo-6-[(pyrimidin-2-ylsulfanyl)methyl]-4H-pyran-3-yl 2-methyl-3-nitrobenzoate
| Molecular Formula | C18H13N3O6S |
|---|---|
| Molecular Weight | 399.05 g/mol |
| LogP | 3.15792 |
| Topological Polar Surface Area | 125.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 399.05252 |
| Heavy Atoms | 28 |
| Complexity | 1084.1791 |
Chemical Identifiers
| CAS Number | 877636-45-8 |
|---|---|
| SMILES | CC1=C(C=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] 2-methyl-3-nitrobenzoate (CAS 877636-45-8), with molecular formula C18H13N3O6S and molecular weight 399.05 g/mol. IUPAC: [4-oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 2-methyl-3-nitrobenzoate.
Chemical Property Profile of [4-Oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 2-methyl-3-nitrobenzoate
Property Insights of [4-Oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 2-methyl-3-nitrobenzoate
The XLogP value of 3.15792 indicates that [4-Oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 2-methyl-3-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. 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] 2-methyl-3-nitrobenzoate. Following Lipinski's Rule of Five, [4-Oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 2-methyl-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] 2-methyl-3-nitrobenzoate?
The CAS number of [4-Oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 2-methyl-3-nitrobenzoate is 877636-45-8.
What is the molecular formula of [4-Oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 2-methyl-3-nitrobenzoate?
The molecular formula of [4-Oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 2-methyl-3-nitrobenzoate is C18H13N3O6S.
What is the molecular weight of [4-Oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 2-methyl-3-nitrobenzoate?
The molecular weight of [4-Oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 2-methyl-3-nitrobenzoate is 399.05 g/mol.
Where can I buy [4-Oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 2-methyl-3-nitrobenzoate?
You can request a quote for [4-Oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 2-methyl-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] 2-methyl-3-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for [4-Oxo-6-(pyrimidin-2-ylsulfanylmethyl)pyran-3-yl] 2-methyl-3-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.