4-(2-((1E,3E)-3-(1-(5-Carboxypentyl)-3,3-dimethylindolin-2-ylidene)prop-1-en-1-yl)-3,3-dimethyl-3H-indol-1-ium-1-yl)butane-1-sulfonate CAS 644979-14-6

Purity 97%+In StockPharmaceutical Standards
CAS No.644979-14-6
Molecular FormulaC33H42N2O5S
Molecular Weight578.76 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

4-(2-((1E,3E)-3-(1-(5-Carboxypentyl)-3,3-dimethylindolin-2-ylidene)prop-1-en-1-yl)-3,3-dimethyl-3H-indol-1-ium-1-yl)butane-1-sulfonate CAS 644979-14-6 chemical structure

Description

Under current pharmacopoeial and regulatory frameworks, quality-control requirements for this class of reference material explicitly involve the control of targets including 4-(2-((1E,3E)-3-(1-(5-Carboxypentyl)-3,3-dimethylindolin-2-ylidene)prop-1-en-1-yl)-3,3-dimethyl-3H-indol-1-ium-1-yl)butane-1-sulfonate.

4-(2-((1E,3E)-3-(1-(5-Carboxypentyl)-3,3-dimethylindolin-2-ylidene)prop-1-en-1-yl)-3,3-dimethyl-3H-indol-1-ium-1-yl)butane-1-sulfonate (CAS 644979-14-6), molecular formula C33H42N2O5S and molecular weight 578.76 g/mol, is a CATO reference standard with documented purity and traceability.

Owing to a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage, 4-(2-((1E,3E)-3-(1-(5-Carboxypentyl)-3,3-dimethylindolin-2-ylidene)prop-1-en-1-yl)-3,3-dimethyl-3H-indol-1-ium-1-yl)butane-1-sulfonate is typically pale yellow to yellow crystalline powder. Its solid-state physicochemical attributes — including a molecular weight of 578.76 g/mol — guide the selection of appropriate sample preparation and analytical techniques. Nitrogen-containing functional groups confer excellent ionization efficiency in positive-ion electrospray (ESI) mode, making the compound well suited to LC-MS/MS analysis.

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

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 FormulaC33H42N2O5S
Molecular Weight578.76 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
Degree of Unsaturation (DBE)14.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1985
Nitrogen Atoms2
Sulfur Atoms1

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