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    AbbVie CDMO has been working with global companies to develop, manufacture & scale biopharmaceutical products.

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    Chemistry

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    Also known as: 2258638-53-6, Schembl22067701
    Molecular Formula
    C18H19F2NO5
    Molecular Weight
    367.3  g/mol
    InChI Key
    RBSUVNKSTRDWQE-UHFFFAOYSA-N
    CAS 2258638-53-6
    1 2D Structure

    CAS 2258638-53-6

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1-O-tert-butyl 3-O-methyl 5-(2,4-difluorophenyl)-4-methoxypyrrole-1,3-dicarboxylate
    2.1.2 InChI
    InChI=1S/C18H19F2NO5/c1-18(2,3)26-17(23)21-9-12(16(22)25-5)15(24-4)14(21)11-7-6-10(19)8-13(11)20/h6-9H,1-5H3
    2.1.3 InChI Key
    RBSUVNKSTRDWQE-UHFFFAOYSA-N
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. (none)

    2.2.2 Depositor-Supplied Synonyms

    1. 2258638-53-6

    2. Schembl22067701

    2.3 Create Date
    2020-06-27
    3 Chemical and Physical Properties
    Molecular Weight 367.3 g/mol
    Molecular Formula C18H19F2NO5
    XLogP33.6
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count6
    Exact Mass Da
    Monoisotopic Mass Da
    Topological Polar Surface Area66.8
    Heavy Atom Count26
    Formal Charge0
    Complexity524
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

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