Methyl 5-cyano-6-(((3-(4-methoxyphenyl)isoxazol-5-yl)methyl)amino)-2-methylnicotinate CAS 478043-43-5

Purity 97%+In StockPharmaceutical Standards
CAS No.478043-43-5
Molecular FormulaC20H18N4O4
Molecular Weight378.38 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

Methyl 5-cyano-6-(((3-(4-methoxyphenyl)isoxazol-5-yl)methyl)amino)-2-methylnicotinate CAS 478043-43-5 chemical structure

Description

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

Methyl 5-cyano-6-(((3-(4-methoxyphenyl)isoxazol-5-yl)methyl)amino)-2-methylnicotinate (CAS 478043-43-5), molecular formula C20H18N4O4 and molecular weight 378.38 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, Methyl 5-cyano-6-(((3-(4-methoxyphenyl)isoxazol-5-yl)methyl)amino)-2-methylnicotinate (C20H18N4O4) contains a flavonoid core, an amide group, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 14.0, corresponding to approximately 14 ring(s) or double-bond equivalent(s). With a molecular weight of 378.38 g/mol, it falls into the moderately-high-molecular-weight range. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.

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 FormulaC20H18N4O4
Molecular Weight378.38 g/mol
AppearancePale yellow to yellow crystalline powder
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
Degree of Unsaturation (DBE)14.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2025
Nitrogen Atoms4

Related Methyl Standards

Recommended Standards

Why CATO?