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PB22 Pharmaceutical Intermediates BB22 Quinolin-8-Yl 1-Cyclohexylmethyl-1H-Indole-3-Carboxylate
BB-22 also known as QUCHIC has a systematic or IUPAC name of 8-Quinolinyl 1-(cyclohexylmethyl)-1H-indole-3-carboxylate. The chemical formula for BB-22 is C25H24N2O2 with an average mass of 384.470306 Da and a Monoisotopic mass of 384.183777 Da.
Research on BB-22 was conducted by ACD/Labs’ and ChemAxon. Properties that were predicted by ACD/Labs showed 4 #H bond acceptors, 5 Freely rotating bonds, index of refraction at 1.655 with a surface tension of 49.0±7.0 dyne/cm, a flash point of 312.5±23.2 °C and a boiling point of 593.1±25.0 °C .
Properties that were predicted by ChemAxon included a topology analysis, which showed an atom count of 53, bond count of 57, cyclomatic number of 5, chain atom count of 4, chain bond count of 6, asymmetric atom count of 0, and rotatable bond count of 5. Under geometry, the information provided showed deriding energy of 86.19 kcal/mol with a volume of 354.94 Å3, a minimal projection area of 56.34 .
Chemical and physical properties of BB-22 include a heavy atom count of 29, topological polar surface area of 44.1, covalently bonded unit count of 1, feature 3D acceptor count of 2, feature cation count of 1, feature 3D ring count of 5, and effective rotor count of 6.2.
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