Please Wait
Applying Filters...
menu
    • menu
    Granules India Limited has high volume world-class facilities for APIs, PFIs, & FDFs, serving customers in over 80 countries.

    Virtual Booth

    Contact Supplier

    Jai Radhe Sales is your partner for all your sourcing needs.

    Virtual Booth

    Contact Supplier

    xyz-pharma-m-2024-10-07

    Virtual Booth

    Contact Supplier

    Egis is a Hungarian generic pharma company with 110 years history. Our activities incorporate all areas of the pharma value chain.

    Virtual Booth

    Contact Supplier

    Biophore is a research-driven global pharmaceutical company focused on niche APIs for the generic industry.

    Virtual Booth

    Contact Supplier

    xyz-pharma-m-2024-10-07

    Virtual Booth

    Contact Supplier

    Menu

    CAS 1426129-50-1

    BUILDING BLOCK

    PharmaCompass
    Xls

    Filters

    clear-filterReset all filters
    2D Structure
    Also known as: 1426129-50-1, N-[(1r)-2-[1,1'-biphenyl]-4-yl-1-(hydroxymethyl)ethyl]carbamic acid 1,1-dimethylethyl ester, Tert-butyl n-[(2r)-1-hydroxy-3-(4-phenylphenyl)propan-2-yl]carbamate, (r)-tert-butyl(1-([1,1-biphenyl]-4-yl)-3-hydroxypropan-2-yl)carbamate, (r)-tert-butyl 1-(biphenyl-4-yl)-3-hydroxypropan-2-ylcarbamate, Ambz0391
    Molecular Formula
    C20H25NO3
    Molecular Weight
    327.4  g/mol
    InChI Key
    TYQICOFAZDVKMK-GOSISDBHSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    tert-butyl N-[(2R)-1-hydroxy-3-(4-phenylphenyl)propan-2-yl]carbamate
    2.1.2 InChI
    InChI=1S/C20H25NO3/c1-20(2,3)24-19(23)21-18(14-22)13-15-9-11-17(12-10-15)16-7-5-4-6-8-16/h4-12,18,22H,13-14H2,1-3H3,(H,21,23)/t18-/m1/s1
    2.1.3 InChI Key
    TYQICOFAZDVKMK-GOSISDBHSA-N
    2.1.4 Canonical SMILES
    CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)C2=CC=CC=C2)CO
    2.1.5 Isomeric SMILES
    CC(C)(C)OC(=O)N[C@H](CC1=CC=C(C=C1)C2=CC=CC=C2)CO
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 1426129-50-1

    2. N-[(1r)-2-[1,1'-biphenyl]-4-yl-1-(hydroxymethyl)ethyl]carbamic Acid 1,1-dimethylethyl Ester

    3. Tert-butyl N-[(2r)-1-hydroxy-3-(4-phenylphenyl)propan-2-yl]carbamate

    4. (r)-tert-butyl(1-([1,1-biphenyl]-4-yl)-3-hydroxypropan-2-yl)carbamate

    5. (r)-tert-butyl 1-(biphenyl-4-yl)-3-hydroxypropan-2-ylcarbamate

    6. Ambz0391

    7. Schembl15521493

    8. Bhc12950

    9. Mfcd28359221

    10. Sc5054

    11. Zinc98091052

    12. Akos027307888

    13. Am85577

    14. Ac-28983

    15. Ds-11243

    16. Cs-0009327

    17. A856770

    18. (r)-2-(t-butoxycarbonylamino)-3-(biphenyl-4-yl)-propan-1-ol

    19. (r)-t-butyl 1-(biphenyl-4-yl)-3-hydroxypropan-2-ylcarbamate

    20. (r)-tert-butyl (1-([1,1-biphenyl]-4-yl)-3-hydroxypropan-2-yl)carbamate

    21. (r)-tert-butyl(1-([1,1'-biphenyl]-4-yl)-3-hydroxypropan-2-yl)carbamate

    22. (r)-tert-butyl-(1-([1,1-biphenyl]-4-yl)-3-hydroxypropan-2-yl)carbamate

    23. [(r)-2-(4-biphenylyl)-1-(hydroxymethyl)ethyl]carbamic Acid Tert-butyl Ester

    24. (r)-tert-butyl (1-([1,1'-biphenyl]-4-yl)-3-hydroxypropan-2-yl)carbamate; (r)-tert-butyl(1-([1,1-biphenyl]-4-yl)-3-hydroxypropan-2-yl)carbamate

    25. N-[(1r)-2-[1,1'-biphenyl]-4-yl-1-(hydroxymethyl)ethyl]-carbamic Acid1,1-dimethylethyl Ester

    26. N-[(1r)-2-[1,1\'-biphenyl]-4-yl-1-(hydroxymethyl)ethyl]carbamic Acid 1,1-dimethylethyl Ester

    2.3 Create Date
    2013-06-10
    3 Chemical and Physical Properties
    Molecular Weight 327.4 g/mol
    Molecular Formula C20H25NO3
    XLogP33.9
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count7
    Exact Mass327.18344366 g/mol
    Monoisotopic Mass327.18344366 g/mol
    Topological Polar Surface Area58.6 Ų
    Heavy Atom Count24
    Formal Charge0
    Complexity377
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1