loader
Please Wait
Applying Filters...

Minakem Generic APIs Minakem Generic APIs

X
menu

    Market Place

    Market Place

    Post Enquiry

    Post Enquiry
    menu

    Technical details about CAS 162358-08-9, learn more about the structure, uses, toxicity, action, side effects and more

    Client Email Product
    Menu

    CAS 162358-08-9

    Manufacturers/Suppliers

    PharmaCompass

    Symbiotec: Global API manufacturer, specializing in Cortico-Steroids & Steroid-Hormone APIs.

    Metrochem has been delivering customized volume & quality products to customers across the world, taking utmost care of their needs.

    2D Structure
    1. Also known as: 162358-08-9, Diethyl 2-acetamido-2-[2-(4-octylphenylethyl)malonate, Diethyl 2-acetamido-2-[2-(4-octylphenyl)ethyl]propanedioate, Diethyl 2-(acetamido)-2-(2-(4-octylphenyl)ethyl)propanedioate, Fingolimod impurity 3, Propanedioic acid, (acetylamino)[2-(4-octylphenyl)ethyl]-, diethyl ester
    Molecular Formula
    C25H39NO5
    Molecular Weight
    433.6  g/mol
    InChI Key
    RYOKCHIAMHPMLV-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    diethyl 2-acetamido-2-[2-(4-octylphenyl)ethyl]propanedioate
    2.1.2 InChI
    InChI=1S/C25H39NO5/c1-5-8-9-10-11-12-13-21-14-16-22(17-15-21)18-19-25(26-20(4)27,23(28)30-6-2)24(29)31-7-3/h14-17H,5-13,18-19H2,1-4H3,(H,26,27)
    2.1.3 InChI Key
    RYOKCHIAMHPMLV-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCCCCCCCC1=CC=C(C=C1)CCC(C(=O)OCC)(C(=O)OCC)NC(=O)C
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 162358-08-9

    2. Diethyl 2-acetamido-2-[2-(4-octylphenylethyl)malonate

    3. Diethyl 2-acetamido-2-[2-(4-octylphenyl)ethyl]propanedioate

    4. Diethyl 2-(acetamido)-2-(2-(4-octylphenyl)ethyl)propanedioate

    5. Fingolimod Impurity 3

    6. Propanedioic Acid, (acetylamino)[2-(4-octylphenyl)ethyl]-, Diethyl Ester

    7. Schembl903628

    8. Dtxsid40431738

    9. Bcp14874

    10. Ex-a1405

    11. Mfcd09840446

    12. Zinc72399700

    13. Akos016003754

    14. Propanedioic Acid,2-(acetylamino)-2-[2-(4-octylphenyl)ethyl]-, 1,3-diethyl Ester

    15. Ac-25902

    16. Bs-49455

    17. Am20030094

    18. Ft-0666727

    19. Diethyl Acetamido-2-(4-octylphenyl)ethylmalonate

    20. Diethyl2-acetamido-2-(4-octylphenethyl)malonate

    21. J-009929

    22. Diethyl Acetamido[2-(4-octylphenyl)ethyl]propanedioate

    23. Diethyl 2-acetamido-2-[2-(4-octylphenyl)ethyl]malonate

    24. (4-octylphenethyl)(acetylamino)malonic Acid Diethyl Ester

    25. Diethyl 2-acetamido-2-(2-(4-octylphenyl)ethyl)propandioate

    26. 2-(acetylamino)-2-(2-(4-octylphenyl)ethyl)propanedioic Acid Diethyl Ester

    27. 2-(acetylamino)-2-[2(4-octylphenyl)ethyl]propanedioic Acid Diethylester

    28. Diethyl 2-acetamido-2-(4-octylphenethyl)malonate; Fingolimod Impurity 3

    2.3 Create Date
    2006-10-25
    3 Chemical and Physical Properties
    Molecular Weight 433.6 g/mol
    Molecular Formula C25H39NO5
    XLogP36.5
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count17
    Exact Mass433.28282334 g/mol
    Monoisotopic Mass433.28282334 g/mol
    Topological Polar Surface Area81.7 Ų
    Heavy Atom Count31
    Formal Charge0
    Complexity522
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    Post Enquiry
    POST ENQUIRY