Please Wait
Applying Filters...
menu
    • menu
    European CDMO and Gx manufacturer with 75 years of experience in delivering premium APIs to pharmaceutical partners worldwide.

    Virtual Booth

    Contact Supplier

    Granules India Limited has high volume world-class facilities for APIs, PFIs, & FDFs, serving customers in over 80 countries.

    Virtual Booth

    Contact Supplier

    Transo-Pharm GmbH works globally to supply Active Pharmaceutical Ingredients adhering to the highest quality & GMP standards.

    Virtual Booth

    Contact Supplier

    TAPI, a leading global supplier of APIs, provides over 350 products and customized CDMO solutions for every stage of development.

    Virtual Booth

    Contact Supplier

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

    Virtual Booth

    Contact Supplier

    pharmacompass-2-m-2025-10-20

    Virtual Booth

    An Enquiry

    Menu

    TNG348

    DEVELOPMENTS

    PharmaCompass
    Xls

    Filters

    clear-filterReset all filters
    2D Structure
    Also known as: Tng348, Ex-a8751, 2839740-79-1
    Molecular Formula
    C27H23F6N9O
    Molecular Weight
    603.5  g/mol
    InChI Key
    NKGSHRLGUQURMS-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    2-(4-cyclopropyl-6-methoxypyrimidin-5-yl)-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-7-(2,2,2-trifluoroethyl)purin-8-imine
    2.1.2 InChI
    InChI=1S/C27H23F6N9O/c1-40-11-18(27(31,32)33)38-22(40)16-5-3-14(4-6-16)10-41-23-17(42(25(41)34)12-26(28,29)30)9-35-21(39-23)19-20(15-7-8-15)36-13-37-24(19)43-2/h3-6,9,11,13,15,34H,7-8,10,12H2,1-2H3
    2.1.3 InChI Key
    NKGSHRLGUQURMS-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CN1C=C(N=C1C2=CC=C(C=C2)CN3C4=NC(=NC=C4N(C3=N)CC(F)(F)F)C5=C(N=CN=C5OC)C6CC6)C(F)(F)F
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. Tng348

    2. Ex-a8751

    3. 2839740-79-1

    2.3 Create Date
    2022-10-07
    3 Chemical and Physical Properties
    Molecular Weight 603.5 g/mol
    Molecular Formula C27H23F6N9O
    XLogP33.7
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count13
    Rotatable Bond Count7
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area109
    Heavy Atom Count43
    Formal Charge0
    Complexity991
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1