2-(4-Methyl-2-(methylthio)-6-oxo-1,6-dihydropyrimidin-5-yl)ethyl 3-chlorobenzoate CAS 338401-98-2

Purity 97%+In StockPharmaceutical Standards
CAS No.338401-98-2
Molecular FormulaC15H15ClN2O3S
Molecular Weight338.81 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

2-(4-Methyl-2-(methylthio)-6-oxo-1,6-dihydropyrimidin-5-yl)ethyl 3-chlorobenzoate CAS 338401-98-2 chemical structure

Description

The occurrence of 2-(4-Methyl-2-(methylthio)-6-oxo-1,6-dihydropyrimidin-5-yl)ethyl 3-chlorobenzoate is closely related to a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution in its molecular formula, which determines its behaviour during synthesis, purification, or degradation.

2-(4-Methyl-2-(methylthio)-6-oxo-1,6-dihydropyrimidin-5-yl)ethyl 3-chlorobenzoate (CAS 338401-98-2) is a high-purity analytical reference standard with the molecular formula C15H15ClN2O3S and a molecular weight of 338.81 g/mol.

Structurally, 2-(4-Methyl-2-(methylthio)-6-oxo-1,6-dihydropyrimidin-5-yl)ethyl 3-chlorobenzoate (C15H15ClN2O3S) contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 9.0, corresponding to approximately 9 ring(s) or double-bond equivalent(s). With a molecular weight of 338.81 g/mol, it falls into the moderately-high-molecular-weight range. The aromatic system may exhibit native fluorescence, enabling detection with a fluorescence detector (FLD).

This reference standard is suitable for quantitative analysis on major chromatographic platforms including HPLC, GC, LC-MS/MS, and GC-MS, serving as an external calibration standard or a system suitability test reference material.

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.

Physical & Chemical Properties

Molecular FormulaC15H15ClN2O3S
Molecular Weight338.81 g/mol
Purity97%+
StorageStore at 2-8°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)9.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2025
Halogen ContentCl-containing
Nitrogen Atoms2
Sulfur Atoms1

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