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

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    Bachem Group is a public, innovation-driven company specializing in the development and manufacturing of peptides and oligonucleotides.

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    BUILDING BLOCK

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    Chemistry

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    Also known as: 63547-25-1, Modafinil carboxylate methyl ester, Methyl (r)-(benzhydrylsulfinyl)acetate, Methyl [(rs)-(diphenylmethyl)sulfinyl]acetate, Modafinil ep impurity c, Schembl1537276
    Molecular Formula
    C16H16O3S
    Molecular Weight
    288.4  g/mol
    InChI Key
    JFMZFATUMFWKEA-UHFFFAOYSA-N
    CAS 63547-25-1
    1 2D Structure

    CAS 63547-25-1

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    methyl 2-benzhydrylsulfinylacetate
    2.1.2 InChI
    InChI=1S/C16H16O3S/c1-19-15(17)12-20(18)16(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11,16H,12H2,1H3
    2.1.3 InChI Key
    JFMZFATUMFWKEA-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    COC(=O)CS(=O)C(C1=CC=CC=C1)C2=CC=CC=C2
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 63547-25-1

    2. Modafinil Carboxylate Methyl Ester

    3. Methyl (r)-(benzhydrylsulfinyl)acetate

    4. Methyl [(rs)-(diphenylmethyl)sulfinyl]acetate

    5. Modafinil Ep Impurity C

    6. Schembl1537276

    7. Dtxsid40434643

    8. Methyl (-)-benzhydrylsulfinylacetate

    9. Methyl (diphenylmethanesulfinyl)acetate

    10. (r)-methyl2-(benzhydrylsulfinyl)acetate

    11. Da-33136

    12. (benzhydrylsulfinyl)acetic Acid Methyl Ester

    13. A917990

    2.3 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 288.4 g/mol
    Molecular Formula C16H16O3S
    XLogP32.7
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count6
    Exact Mass288.08201554 g/mol
    Monoisotopic Mass288.08201554 g/mol
    Topological Polar Surface Area62.6 Ų
    Heavy Atom Count20
    Formal Charge0
    Complexity313
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count1
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

    BUILDING BLOCK

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