menu
    • menu

    CAS 155405-80-4 manufacturers and suppliers on PharmaCompass

    Seqens is an integrated global leader in pharmaceutical solutions & specialty ingredients & provides custom-made solutions.

    Virtual Booth

    Contact Supplier

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

    Virtual Booth

    Contact Supplier

    xyz-pharma-m-2024-10-07

    Virtual Booth

    Contact Supplier

    EUROAPI, the leading small molecules API player, provides both API sales & CDMO services.

    Virtual Booth

    Contact Supplier

    ChemWerth works in generic API development & supply, non-infringement patent strategy development and regulatory support.

    Virtual Booth

    Contact Supplier

    xyz-pharma-m-2024-10-07

    Virtual Booth

    Contact Supplier

    BUILDING BLOCK

    PharmaCompass

    Chemistry

    Click the arrow to open the dropdown
    read-moreClick the button for full data set
    read-moreClick the button for full data set
    Also known as:
    Molecular Formula
    C16H16N4O3
    Molecular Weight
    312.32  g/mol
    InChI Key
    GDEKSBCRJKAARB-UHFFFAOYSA-N
    CAS 155405-80-4
    1 2D Structure

    CAS 155405-80-4

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    methyl 4-[2-(2-amino-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoate
    2.1.2 InChI
    InChI=1S/C16H16N4O3/c1-23-15(22)10-5-2-9(3-6-10)4-7-11-8-18-13-12(11)14(21)20-16(17)19-13/h2-3,5-6,8H,4,7H2,1H3,(H4,17,18,19,20,21)
    2.1.3 InChI Key
    GDEKSBCRJKAARB-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    COC(=O)C1=CC=C(C=C1)CCC2=CNC3=C2C(=O)N=C(N3)N
    2.1.5 Isomeric SMILES
    COC(=O)C1=CC=C(C=C1)CCC2=CNC3=C2C(=O)N=C(N3)N
    2.2 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 312.32 g/mol
    Molecular Formula C16H16N4O3
    XLogP31.3
    Hydrogen Bond Donor Count3
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count5
    Exact Mass312.12224039 g/mol
    Monoisotopic Mass312.12224039 g/mol
    Topological Polar Surface Area110 A^2
    Heavy Atom Count23
    Formal Charge0
    Complexity500
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1

    BUILDING BLOCK

    Upload your portfolio for free, ask us

    END USE APIs

    read-more
    read-more
    Ask Us for Pharmaceutical Supplier and Partner
    Ask Us, Find A Supplier / Partner
    No Commissions, No Strings Attached, Get Connected for FREE

    What are you looking for?

    How can we help you?

    The request can't be empty

    Please read our Privacy Policy carefully

    You must agree to the privacy policy

    The name can't be empty
    The company can't be empty.
    The email can't be empty Please enter a valid email.
    The mobile can't be empty

    Market Place

    Market Place

    PharmaCompass

    Home

    Market Place

    Menu

    Post Enquiry

    Post Enquiry

    Market Place

    Market Place

    Search