Description

Isocaffeine CAS NO 519-32-4 is a purine alkaloid and a structural isomer of caffeine, offering a unique chemical profile for specialized research and development. This compound is valued for its distinct biological activity and serves as a key intermediate in the synthesis of novel pharmaceutical compounds and fine chemicals. It is primarily sought by research institutions, pharmaceutical developers, and fine chemical manufacturers exploring new therapeutic agents, analytical standards, and high-value chemical building blocks.

Application

• Pharmaceutical Research & Development: Used as a reference standard and a key synthetic intermediate in the development of new central nervous system (CNS) active agents and adenosine receptor modulators.
• Biochemical Studies: Employed in enzymatic and receptor-binding assays to study the structure-activity relationships of purine derivatives and their metabolic pathways.
• Fine Chemical Synthesis: Serves as a specialized building block for the synthesis of complex molecules, including heterocyclic compounds and potential drug candidates.
• Analytical Chemistry: Utilized as a high-purity analytical standard for method development and quality control in laboratories analyzing caffeine and its isomers.
• Nutritional Science Research: Investigated for its comparative metabolic effects and interaction with biological systems in contrast to caffeine.

Basic Information

Product Name	Isocaffeine
CAS No.	519-32-4
Molecular Formula	C8H10N4O2
Molecular Weight	194.19 g/mol
Synonyms	1,3,7-Trimethyl-2,6-dioxopurine; 3,7-Dihydro-1,3,7-trimethyl-1H-purine-2,6-dione; Iso-caffeine; 1,3,7-Trimethylxanthine (isomer); 3-Methyl-7H-purine-2,6-dione, 1,3,7-trimethyl-; 1H-Purine-2,6-dione, 3,7-dihydro-1,3,7-trimethyl-
EINECS	208-270-1

Quality Control

Our Isocaffeine is produced under strict quality management protocols. We offer material suitable for research and development purposes, with typical purity levels meeting high-grade standards. Each batch is tested to ensure identity, purity, and consistency. Certificates of Analysis (COA) detailing specific batch results are available upon request to support your quality assurance processes.

Storage

Preserve in a tightly closed container, protected from light. Store in a cool, dry, well-ventilated area at controlled room temperature (15-25°C). Due to its hygroscopic (moisture-sensitive) nature, the container must be kept tightly sealed after opening to prevent degradation from atmospheric moisture.

Specification

Item	Specification
Appearance	White to off-white crystalline powder
Identification (IR)	Conforms to structure
Assay (HPLC)	≥ 98.0%
Loss on Drying	≤ 1.0%
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.