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3-CAF
CAS: 261975-49-6
Formula: C25H17FN2O2
Molecular weight: 396.13
Compound purity: > 99.7%
Related substance: Total Impurities(%) ≤ 0.3%
IUPAC:1-(2-Fluoro-benzyl)-1H-indazole-3-carboxylic acid naphthalen-2-yl ester
3-CAF has an IUPAC name of 1-(2-Fluoro-benzyl)-1H-indazole-3-carboxylic acid naphthalen-2-yl ester and a molecular weight of 396.13. The chemical formula for the new research chemical is C25H17FN2O2. 3-CAF is a synthetic cannabinoid.
Research on it was published by ACD/Labs’, US Environmental Protection Agency’s EPISuite, and ChemAxon. In the reports by ACD/Labs the chemical has 2 hydrogen acceptors, 0 hydrogen donors, 6 freely rotating bonds, an index of refraction of 1.606, with a surface tension of 42.0±7.0 dyne/cm, a flash point of 276.9±22.6 °C and a boiling point of 534.2±25.0 °C at 760 mmHg.
The research published by US Environmental Protection Agency’s EPISuite showed the boiling point to be 495.43, a melting point of 208.22, and water solubility at 25 deg C (mg/L): 0.000698. Removal in wastewater treatment showed total removal at 93.80%, total biodegradation at .78% total sludge adsorption at 93.02%, and total to air at 0.00%.
ChemAxon published a topology analysis, which revealed an atom count of 49, bond count of 52, cyclomatic number of 4, chain atom count of 7, chain bond count of 8, asymmetric atom count of 0, and rotatable bond count of 6. Under geometry, the report revealed a dreiding energy equal to 102.23 kcal/mol with a volume equal to 327.93 Å3, a minimal projection area equal to 51.55 Å2 and maximum projection area equal to 119.12 Å2.
Other research showed compound to have a topological polar surface area of 22 A^2, a heavy atom count of 26, Isotope Atom Count of 0, Defined Atom Stereocenter Count of 0, Undefined Atom Stereocenter Count of 0, Defined Bond Stereocenter Count of 0, Undefined Bond Stereocenter Count of 0, and a Covalently-Bonded Unit Count of 1.
3-CAF is research chemical and intended for research purposes only in a controlled laboratory for scientific and forensic study and NOT intended for human or animal consumption.
