📋Basic Information and Safety Data
Basic Information: Chemical formula C₇H₁₀O₃, molecular weight 142.15. Appearance: off-white to off-white solid -9.
Physical and Chemical Parameters: Purity: Commonly ≥97%-1-4-7; Storage conditions: It is recommended to store at room temperature, sealed, and in a dry place -4-9; Solubility: According to calculation predictions, its water solubility is approximately 27.5 – 48.6 mg/mL-1.
Structural Characteristics: The core is the [1.1.1] enolane (Bicyclo[1.1.1]pentane, BCP) framework, with a unique three-dimensional structure.
Product Specifications: Commercial specifications include small packages such as 100mg, 250mg, 500mg, 1g, etc., and also large packages such as 100g, 1kg, 10kg -4-7-10
💡Core purposes and advantages
The primary value of this compound lies in the field of medicinal chemistry, and its core application is as a “benzene ring bioelectronic equivalent” in drug design.
Pharmaceutical Chemistry and Innovation Drug Development
Improving the pharmaceutical properties: Replacing the benzene ring in the drug molecule with a rigid BCP framework can significantly enhance metabolic stability, increase lipid solubility (with a consensus LogP of approximately 0.67), reduce the risk of binding to the hERG channel (reducing cardiac toxicity), and enhance cell membrane permeability (predicted to have high GI absorption and BBB (blood-brain barrier) permeability).
Avoiding patents: By replacing the aromatic ring structure of known compounds, a patent space with a novel framework can be created.
2. Organic Synthesis and Research
Synthetic building blocks: As the fundamental units for constructing complex molecules.
Biochemistry: Used for studying the mechanism of enzyme catalysis and the interaction between proteins and ligands.
⚠️Safety and Information Storage
GHS Hazard Category: Classified as a warning level. The main hazards include:
H302: Harmful by ingestion
H315: Causes skin irritation
H319: Causes severe eye irritation
Precautionary measures: During operation, wear protective goggles and gloves to avoid inhaling dust. In case of accidental contact with eyes, immediately rinse with plenty of water and seek medical attention.
Storage conditions: Store at room temperature, in a sealed and dry environment, and keep away from strong oxidants.
Lucy@coreychem.com
