Description

[(4R,5S)-4,5-Bis(4-chlorophenyl)-2-[4-(1,1-dimethylethyl)-2-ethoxyphenyl]-4,5-dihydro-4,5-dimethyl-1H-imidazol-1-yl][4-[3-(methylsulfonyl)propyl]-1-piperazinyl]methanone CAS NO 939981-39-2 is a sophisticated, high-purity chiral organic compound featuring a complex imidazoline and piperazine-based molecular architecture. This compound is of significant value as a key pharmaceutical intermediate or advanced research chemical for drug discovery programs targeting complex disease pathways. It is primarily sought by pharmaceutical R&D departments and fine chemical synthesis facilities engaged in the development of novel therapeutic agents.

Application

• Pharmaceutical Intermediate: Serves as a critical building block in the multi-step synthesis of potential active pharmaceutical ingredients (APIs), particularly for central nervous system (CNS) or oncology targets.
• Medicinal Chemistry Research: Used as a high-value scaffold or lead compound for structure-activity relationship (SAR) studies and library synthesis in drug discovery.
• Biochemical Probe Development: Employed in academic and industrial research to investigate specific biological pathways and protein-ligand interactions due to its complex, drug-like structure.
• Process Chemistry & Scale-Up: Supplied to CROs and CDMOs for route development, optimization, and pilot-scale production of candidate drugs.
• Reference Standard: Provides a certified material for analytical method development, validation, and quality control in regulatory filings.

Basic Information

Product Name	[(4R,5S)-4,5-Bis(4-chlorophenyl)-2-[4-(1,1-dimethylethyl)-2-ethoxyphenyl]-4,5-dihydro-4,5-dimethyl-1H-imidazol-1-yl][4-[3-(methylsulfonyl)propyl]-1-piperazinyl]methanone
CAS No.	939981-39-2
Molecular Formula	C44H50Cl2N4O4S
Molecular Weight	809.87 g/mol
Synonyms	BMS-820836; BMS 820836; (4R,5S)-4,5-Bis(4-chlorophenyl)-2-(4-tert-butyl-2-ethoxyphenyl)-4,5-dimethyl-4,5-dihydro-1H-imidazole-1-carboxylic acid 4-(3-methylsulfonylpropyl)piperazin-1-yl ester; 1-[(4R,5S)-4,5-Bis(4-chlorophenyl)-2-[4-(tert-butyl)-2-ethoxyphenyl]-4,5-dimethyl-4,5-dihydro-1H-imidazol-1-yl]-2-[4-(3-methylsulfonylpropyl)piperazin-1-yl]ethanone (tautomeric form); UNII-5K0J6K5W4F
EINECS	Contact for details

Quality Control

Our production of this advanced intermediate adheres to strict quality management systems (ISO 9001) with controls in place to ensure batch-to-batch consistency and high chemical purity. Each lot is characterized using advanced analytical techniques including HPLC, NMR, and chiral analysis to confirm identity, purity, and enantiomeric excess. A comprehensive Certificate of Analysis (COA) detailing all specifications is provided with every shipment to support your regulatory and research requirements.

Storage

Preserve in a tightly closed container, protected from light. Store at controlled room temperature (15-25°C) in a dry, well-ventilated area. The compound may be hygroscopic (moisture-sensitive); keep the original container tightly sealed under an inert atmosphere if specified.

Specification

Item	Specification
Appearance	White to off-white solid
Identification (IR)	Conforms to structure
Identification (HPLC)	Retention time matches reference standard
Purity (HPLC)	≥ 98.0%
Chiral Purity (Chiral HPLC)	≥ 99.0% ee
Water Content (KF)	≤ 0.5%
Residue on Ignition	≤ 0.1%
Heavy Metals	≤ 20 ppm

Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.