CBGAQ (CAS 2442482-70-2) is a key synthetic intermediate featuring a reactive diene core and a carboxylic acid functional group. It is primarily used in the synthesis of complex organic molecules, including cannabinoid precursors and other bioactive compounds.
Name :
CBGAQCAS No. :
2442482-70-2MF :
C22H30O5MW :
374.47Purity :
95%Appearance :
Crystalline solidBasic Information
CAS Number: 2442482-70-2
IUPAC/Chemical Name:(E)-5-(3,7-dimethylocta-2,6-dien-1-yl)-4-hydroxy-3,6-dioxo-2-pentylcyclohexa-1,4-diene-1-carboxylic acid
Synonym:CBGAQ; Cannabigerol Quinone Acid
Molecular Formula: C22H30O5
Molecular Weight: 374.47g/mol
InChi Key:KSYQQQQXRBKCCS-NTCAYCPXSA-N
InChi Code:InChI=1S/C22H30O5/c1-5-6-7-11-16-18(22(26)27)19(23)17(21(25)20(16)24)13-12-15(4)10-8-9-14(2)3/h9,12,25H,5-8,10-11,13H2,1-4H3,(H,26,27)/b15-12+
SMILES Code:OC1=C(C(C(C(O)=O)=C(C1=O)CCCCC)=O)C/C=C(CC/C=C(C)\C)\C
Physical and Chemical Properties
Boiling point: 525.9 ± 50.0 °C (Predicted)
Density: 1.132 ± 0.06 g/cm³ (Predicted)
Solubility:
DMF: 20.0 (maximum concentration mg/mL); 53.0 (maximum concentration mM)
DMSO: 25.0 (maximum concentration mg/mL); 66.0 (maximum concentration mM)
Ethanol: 30.0 (maximum concentration mg/mL); 80.0 (maximum concentration mM)
Ethanol: PBS (pH 7.2) (1:2): 0.3 (maximum concentration mg/mL); 0.8 (maximum concentration mM)
Appearance: Crystalline solid
Acidity coefficient (pKa): 0.81 ± 0.20 (Predicted)
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