2-Cyano-3-(5-(2-octyl-7-(4-(p-tolyl)-1,2,3,3a,4,8b-hexahydrocyclopenta[b]indol-7-yl)-2H-benzo[d][1,2,3]triazol-4-yl)thiophen-2-yl)acrylic acid CAS 1334739-85-3

Purity 97%+In StockPharmaceutical Standards
CAS No.1334739-85-3
Molecular FormulaC40H41N5O2S
Molecular Weight655.85 g/mol
CategoryPharmaceutical Standards / API Standards
AvailabilityIn Stock

Chemical Structure

2-Cyano-3-(5-(2-octyl-7-(4-(p-tolyl)-1,2,3,3a,4,8b-hexahydrocyclopenta[b]indol-7-yl)-2H-benzo[d][1,2,3]triazol-4-yl)thiophen-2-yl)acrylic acid CAS 1334739-85-3 chemical structure

Description

2-Cyano-3-(5-(2-octyl-7-(4-(p-tolyl)-1,2,3,3a,4,8b-hexahydrocyclopenta[b]indol-7-yl)-2H-benzo[d][1,2,3]triazol-4-yl)thiophen-2-yl)acrylic acid (CAS 1334739-85-3) is a high-purity analytical reference standard with the molecular formula C40H41N5O2S and a molecular weight of 655.85 g/mol.

Structurally, 2-Cyano-3-(5-(2-octyl-7-(4-(p-tolyl)-1,2,3,3a,4,8b-hexahydrocyclopenta[b]indol-7-yl)-2H-benzo[d][1,2,3]triazol-4-yl)thiophen-2-yl)acrylic acid (C40H41N5O2S) contains a nitrogen-containing heterocyclic scaffold, an amide group, a sulfone group, a hydroxyl group, an ether linkage. The molecule exhibits a degree of unsaturation (DBE) of 23.0, corresponding to approximately 23 ring(s) or double-bond equivalent(s). With a molecular weight of 655.85 g/mol, it falls into the 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 FormulaC40H41N5O2S
Molecular Weight655.85 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)23.0
UV AbsorptionUV-absorbing
Structural FeaturesAromatic ring present
CAS Registry Year (est.)1991
Nitrogen Atoms5
Sulfur Atoms1

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