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    Technical details about CAS 88150-75-8, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 88150-75-8

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    PharmaCompass

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    2D Structure
    1. Also known as: 88150-75-8, Ethyl 4-[2-(1,3-dioxoisoindol-2-yl)ethoxy]-3-oxobutanoate, Ethyl-4(2-phthalimido ethoxy)acetoacetate, Ethyl 4-(2-phthalimidoethoxy)acetoacetate, Mfcd12407176, Ethyl 4-[2-(phthalimido)ethoxy]acetoacetate
    Molecular Formula
    C16H17NO6
    Molecular Weight
    319.31  g/mol
    InChI Key
    RIGKLAOKQFKWNN-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    ethyl 4-[2-(1,3-dioxoisoindol-2-yl)ethoxy]-3-oxobutanoate
    2.1.2 InChI
    InChI=1S/C16H17NO6/c1-2-23-14(19)9-11(18)10-22-8-7-17-15(20)12-5-3-4-6-13(12)16(17)21/h3-6H,2,7-10H2,1H3
    2.1.3 InChI Key
    RIGKLAOKQFKWNN-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCOC(=O)CC(=O)COCCN1C(=O)C2=CC=CC=C2C1=O
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 88150-75-8

    2. Ethyl 4-[2-(1,3-dioxoisoindol-2-yl)ethoxy]-3-oxobutanoate

    3. Ethyl-4(2-phthalimido Ethoxy)acetoacetate

    4. Ethyl 4-(2-phthalimidoethoxy)acetoacetate

    5. Mfcd12407176

    6. Ethyl 4-[2-(phthalimido)ethoxy]acetoacetate

    7. Ethyl 4-(2-(phthalimido)ethoxy)acetoacetate

    8. Schembl4985915

    9. Dtxsid90431687

    10. Rigklaokqfkwnn-uhfffaoysa-n

    11. Ethyl4-(2-(1,3-dioxoisoindolin-2-yl)ethoxy)-3-oxobutanoate

    12. Bcp33274

    13. Ethyl 4-[2-(1,3-dioxo-2-isoindolinyl)ethoxy]-3-oxobutanoate

    14. Akos015916097

    15. Ac-5611

    16. Ds-3729

    17. Sb66146

    18. Ethyl-4-(2-phthalimidoethoxy)acetoacetate

    19. Sy271842

    20. Cs-0061613

    21. W17210

    22. 4-(2-phthalimidylethoxy)acetoacetic Acid Ethyl Ester

    23. 4-[2-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-ethoxy]-3-oxo-butyric Acid Ethyl Ester

    24. Ethyl 4-[2-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)ethoxy]-3-oxobutanoate

    25. Ethyl 4-[2-(1,3-dioxo-1,3-dihydro-2h-isoindol-2-yl)ethoxyl]-3-oxobutanoate

    2.3 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 319.31 g/mol
    Molecular Formula C16H17NO6
    XLogP30.9
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count9
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area90
    Heavy Atom Count23
    Formal Charge0
    Complexity465
    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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