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    Also known as: 1256584-75-4, Tert-butyl 6-cyano-2-[2-(4-ethyl-3-iodophenyl)propan-2-yl]-1h-indole-3-carboxylate, 1h-indole-3-carboxylic acid, 6-cyano-2-[1-(4-ethyl-3-iodophenyl)-1-methylethyl]-, 1,1-dimethylethyl ester, Schembl898346, Amy3296, Dtxsid201110884
    Molecular Formula
    C25H27IN2O2
    Molecular Weight
    514.4  g/mol
    InChI Key
    QJJFMODIDDQXRV-UHFFFAOYSA-N
    CAS 1256584-75-4
    1 2D Structure

    CAS 1256584-75-4

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    tert-butyl 6-cyano-2-[2-(4-ethyl-3-iodophenyl)propan-2-yl]-1H-indole-3-carboxylate
    2.1.2 InChI
    InChI=1S/C25H27IN2O2/c1-7-16-9-10-17(13-19(16)26)25(5,6)22-21(23(29)30-24(2,3)4)18-11-8-15(14-27)12-20(18)28-22/h8-13,28H,7H2,1-6H3
    2.1.3 InChI Key
    QJJFMODIDDQXRV-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCC1=C(C=C(C=C1)C(C)(C)C2=C(C3=C(N2)C=C(C=C3)C#N)C(=O)OC(C)(C)C)I
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 1256584-75-4

    2. Tert-butyl 6-cyano-2-[2-(4-ethyl-3-iodophenyl)propan-2-yl]-1h-indole-3-carboxylate

    3. 1h-indole-3-carboxylic Acid, 6-cyano-2-[1-(4-ethyl-3-iodophenyl)-1-methylethyl]-, 1,1-dimethylethyl Ester

    4. Schembl898346

    5. Amy3296

    6. Dtxsid201110884

    7. Bcp20429

    8. Cs-m1476

    9. Mfcd22571223

    10. Zinc95938337

    11. Tert-butyl6-cyano-2-(2-(4-ethyl-3-iodophenyl)propan-2-yl)-1h-indole-3-carboxylate

    12. Ac-30139

    13. Cs-13223

    14. Da-46651

    15. Ft-0733505

    16. F12050

    17. 2-methyl-2-propanyl 6-cyano-2-[2-(4-ethyl-3-iodophenyl)-2-propany L]-1h-indole-3-carboxylate

    18. 6-cyano-2-[2-(4-ethyl-3-iodophenyl)propane-2-yl]-1h-indole-3-carboxylic Acid=tert-butyl Ester

    2.3 Create Date
    2012-11-30
    3 Chemical and Physical Properties
    Molecular Weight 514.4 g/mol
    Molecular Formula C25H27IN2O2
    XLogP36.9
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count6
    Exact Mass514.11173 g/mol
    Monoisotopic Mass514.11173 g/mol
    Topological Polar Surface Area65.9 Ų
    Heavy Atom Count30
    Formal Charge0
    Complexity676
    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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    01

    Haohong (Qihe) Pharmaceutical Technolo...

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    tert-butyl 6-cyano-2-(2-(4-ethyl-3- iodophenyl)pro...

    CAS Number : 1256584-75-4

    End Use API :

    End Use API : Alectinib Hydrochloride

    About the Company : Haohong (Qihe) Pharmaceutical Technology Co., Ltd., based in Qihe, Shandong, specializes in the R\&D and custom production of innovative APIs and intermediates. ISO 9001:2015 certified,...

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    2-(4-ethyl-3-iodophenyl)-2-Methylpropanoic acid

    CAS Number : 1256584-73-2

    End Use API :

    End Use API : Alectinib Hydrochloride

    About the Company : Sandoo Pharmaceuticals and Chemcials Co.,Ltd was established in 2009, with a young and active team, located in Ningbo, China. Specializes in exporting and importing pharmaceutical int...

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    Sandoo Pharmaceuticals and Chemcials C...

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    tert-Butyl 6-cyano-2-(2-(4-ethyl-3-iodophenyl)prop...

    CAS Number : 1256584-75-4

    End Use API :

    End Use API : Alectinib Hydrochloride

    About the Company : Sandoo Pharmaceuticals and Chemcials Co.,Ltd was established in 2009, with a young and active team, located in Ningbo, China. Specializes in exporting and importing pharmaceutical int...

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    04

    SS Pharma

    Tert-butyl-6-cyano-2-(2-(4-ethyl-3-iodophenyl)prop...
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    SS Pharma

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    Tert-butyl-6-cyano-2-(2-(4-ethyl-3-iodophenyl)prop...

    CAS Number : 1256584-75-4

    End Use API :

    End Use API : Alectinib Hydrochloride

    About the Company : SS Pharmaceutical develops and manufactures active pharmaceutical ingredients (APIs), registered pharma intermediates, fine chemicals and pyridine derivatives for the domestic as well a...

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