2-{[(3,4-dichlorophenyl)methyl]sulfanyl}-4-(4-fluorophenoxy)-5-methoxypyrimidine CAS 339276-16-3

Purity 97%+In StockPharmaceutical Standards
CAS No.339276-16-3
Molecular FormulaC18H13Cl2FN2O2S
Molecular Weight411.28 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

2-{[(3,4-dichlorophenyl)methyl]sulfanyl}-4-(4-fluorophenoxy)-5-methoxypyrimidine CAS 339276-16-3 chemical structure

Description

The assigned purity is verified by mass-balance and quantitative NMR (qNMR) approaches, with the expanded uncertainty reported at a 95% confidence level (k=2). Batch homogeneity and stability are independently assessed for every lot.

2-{[(3,4-dichlorophenyl)methyl]sulfanyl}-4-(4-fluorophenoxy)-5-methoxypyrimidine (CAS 339276-16-3), molecular formula C18H13Cl2FN2O2S and molecular weight 411.28 g/mol, is a CATO reference standard with documented purity and traceability.

Owing to a steroid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, fluorine/chlorine substitution, 2-{[(3,4-dichlorophenyl)methyl]sulfanyl}-4-(4-fluorophenoxy)-5-methoxypyrimidine is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 411.28 g/mol — guide the selection of appropriate sample preparation and analytical techniques. The high carbon-to-hydrogen ratio imparts good lipophilicity, allowing liquid-liquid extraction with non-polar solvents such as n-hexane or ethyl acetate.

Recommended for analytical method development and validation; each product is supplied with a full Certificate of Analysis (COA) ensuring ISO 17034 metrological traceability.

Physical & Chemical Properties

Molecular FormulaC18H13Cl2FN2O2S
Molecular Weight411.28 g/mol
Purity97%+
StorageStore in a cool place (≤25°C), protect from light, keep sealed and dry
Solubility (reference)Soluble in DMSO, DMF, methanol
StabilityMay oxidize slowly on prolonged air exposure; Light-sensitive; avoid direct strong light; Hygroscopic; reseal immediately after opening; Contains ester bond; hydrolyzes under strong alkaline conditions
Degree of Unsaturation (DBE)12.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2025
Halogen ContentF/Cl-containing
Nitrogen Atoms2
Sulfur Atoms1

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