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(S)-4-(6-Chloro-4-Cyclopropyl-2-Oxo-3-(2,2,2-Trifluoroethyl)-1,2,3,4-Tetrahydroquinazolin-4-Yl)Benzonitrile CAS NO 910484-28-5
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CAS No.:910484-28-5
Grade:Pharmacy Grade
Content:99.9%
Brand:Customizable
Packaging:Customizable
Description
(S)-4-(6-Chloro-4-Cyclopropyl-2-Oxo-3-(2,2,2-Trifluoroethyl)-1,2,3,4-Tetrahydroquinazolin-4-Yl)Benzonitrile is a high-purity, chiral pharmaceutical intermediate of significant synthetic value. Its complex molecular architecture, featuring a tetrahydroquinazolinone core with cyclopropyl and trifluoroethyl substituents, makes it a critical building block for advanced medicinal chemistry research. This compound is primarily sought after by R&D and process chemistry teams in the pharmaceutical and biotechnology sectors for the development of novel therapeutic agents.
Application
- Pharmaceutical Intermediate: A key chiral synthon in the research and development of new active pharmaceutical ingredients (APIs), particularly for targeted therapies.
- Medicinal Chemistry Research: Used in structure-activity relationship (SAR) studies and lead optimization programs to explore new chemical entities.
- Process Development: Serves as a critical starting material or advanced intermediate in scaling up synthetic routes for clinical trial material and commercial API manufacturing.
- Asymmetric Synthesis: Utilized in the synthesis of complex, stereochemically defined molecules due to its pre-installed (S)-configuration and functionalized core.
- Contract Research & Manufacturing (CRO/CMO): Supplied to organizations specializing in custom synthesis and development services for the global pharmaceutical industry.
Basic Information
| Product Name | (S)-4-(6-Chloro-4-Cyclopropyl-2-Oxo-3-(2,2,2-Trifluoroethyl)-1,2,3,4-Tetrahydroquinazolin-4-Yl)Benzonitrile |
| CAS No. | 910484-28-5 |
| Molecular Formula | C22H17ClF3N3O |
| Molecular Weight | 431.84 g/mol |
| Synonyms | (4S)-4-(4-Cyanophenyl)-6-chloro-4-cyclopropyl-3-(2,2,2-trifluoroethyl)-3,4-dihydroquinazolin-2(1H)-one; (S)-4-(6-Chloro-4-cyclopropyl-2-oxo-3-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydroquinazolin-4-yl)benzonitrile; 910484-28-5; UNII-6V8I8K165Y; SCHEMBL21806227; DTXSID60636690; BCP31033; AOB83707 |
| EINECS | Contact for details |
Quality Control
Our (S)-4-(6-Chloro-4-Cyclopropyl-2-Oxo-3-(2,2,2-Trifluoroethyl)-1,2,3,4-Tetrahydroquinazolin-4-Yl)Benzonitrile is manufactured under strict quality management systems. Every batch undergoes comprehensive analytical testing, including chiral purity verification, to ensure it meets the exacting standards required for pharmaceutical R&D. A detailed Certificate of Analysis (COA) is provided with each shipment, confirming identity, purity, and compliance with agreed specifications.
Storage
Preserve in a tightly closed container, protected from light. Store in a cool, dry, and well-ventilated area at controlled room temperature (typically 15-25°C). The compound may be hygroscopic; keep the container tightly sealed in a dry environment to prevent moisture absorption.
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% |
Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.
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