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    CAS 1107606-68-7 manufacturers and suppliers on PharmaCompass

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    CAS 1107606-68-7

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    CAS 1107606-68-7
    Also known as:
    Molecular Formula
    C25H28N2O3
    Molecular Weight
    404.5  g/mol
    InChI Key
    HRFKRNVQQYEEAH-NRFANRHFSA-N
    1 2D Structure

    CAS 1107606-68-7

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    [2-oxo-2-[[(1S)-1-phenylbutyl]amino]ethyl] 2-ethyl-3-methylquinoline-4-carboxylate
    2.1.2 InChI
    InChI=1S/C25H28N2O3/c1-4-11-21(18-12-7-6-8-13-18)27-23(28)16-30-25(29)24-17(3)20(5-2)26-22-15-10-9-14-19(22)24/h6-10,12-15,21H,4-5,11,16H2,1-3H3,(H,27,28)/t21-/m0/s1
    2.1.3 InChI Key
    HRFKRNVQQYEEAH-NRFANRHFSA-N
    2.1.4 Canonical SMILES
    CCCC(C1=CC=CC=C1)NC(=O)COC(=O)C2=C(C(=NC3=CC=CC=C32)CC)C
    2.1.5 Isomeric SMILES
    CCC[C@@H](C1=CC=CC=C1)NC(=O)COC(=O)C2=C(C(=NC3=CC=CC=C32)CC)C
    2.2 Create Date
    2006-07-29
    3 Chemical and Physical Properties
    Molecular Weight 404.5 g/mol
    Molecular Formula C25H28N2O3
    XLogP35.4
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count9
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area68.3
    Heavy Atom Count30
    Formal Charge0
    Complexity561
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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    Jinan Tantu Chemicals

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      Jinan Tantu Chemicals Co., Ltd. operates as a Contract Development and Manufacturing Organization (CDMO) ...
      Jinan Tantu Chemicals Co., Ltd. operates as a Contract Development and Manufacturing Organization (CDMO) that serves pharmaceutical companies worldwide. Our core services include customized R&D as well as the production of small molecule pharmaceutical intermediates and Active Pharmaceutical Ingredients (APIs) for both international and domestic pharmaceutical firms. Our capabilities span from laboratory-scale kilograms to commercial ton-scale production. Additionally, we are committed to independent research and development, as well as the production and sales of high-end pharmaceutical intermediates and API products.
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