Ethyl 4-((4-((3-carbamoyl-6-isopropyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)carbamoyl)phenyl)sulfonyl)piperazine-1-carboxylate CAS 449768-73-4

Purity 97%+In StockPharmaceutical Standards
CAS No.449768-73-4
Molecular FormulaC25H33N5O6S2
Molecular WeightN/A
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

Ethyl 4-((4-((3-carbamoyl-6-isopropyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)carbamoyl)phenyl)sulfonyl)piperazine-1-carboxylate CAS 449768-73-4 chemical structure

Description

The occurrence of Ethyl 4-((4-((3-carbamoyl-6-isopropyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)carbamoyl)phenyl)sulfonyl)piperazine-1-carboxylate is closely related to a flavonoid core, 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.

Ethyl 4-((4-((3-carbamoyl-6-isopropyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)carbamoyl)phenyl)sulfonyl)piperazine-1-carboxylate (CAS 449768-73-4), molecular formula C25H33N5O6S2HCl and molecular weight 600.15 g/mol, is a CATO reference standard with documented purity and traceability.

Structurally, Ethyl 4-((4-((3-carbamoyl-6-isopropyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2-yl)carbamoyl)phenyl)sulfonyl)piperazine-1-carboxylate (C25H33N5O6S2HCl) contains a flavonoid core, an amide group, a sulfone group, a hydroxyl group, an ether linkage, chlorine substitution. The molecule exhibits a degree of unsaturation (DBE) of 11.0, corresponding to approximately 11 ring(s) or double-bond equivalent(s). With a molecular weight of 600.15 g/mol, it falls into the 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.

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 FormulaC25H33N5O6S2 HCl
Molecular Weight600.15 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)11.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)2025
Halogen ContentCl-containing
Nitrogen Atoms5
Sulfur Atoms2

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