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    CAS 330786-24-8

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    CAS 330786-24-8
    Also known as: 330786-24-8, 4-amino-3-(4-phenoxyphenyl)-1h-pyrazolo[3,4-d]pyrimidine, Ibrutinib n-2, Ibrutinib deacryloylpiperidine, 3-(4-phenoxyphenyl)-2h-pyrazolo[3,4-d]pyrimidin-4-amine, Mfcd20270360
    Molecular Formula
    C17H13N5O
    Molecular Weight
    303.32  g/mol
    InChI Key
    YYVUOZULIDAKRN-UHFFFAOYSA-N
    1 2D Structure

    CAS 330786-24-8

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-(4-phenoxyphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
    2.1.2 InChI
    InChI=1S/C17H13N5O/c18-16-14-15(21-22-17(14)20-10-19-16)11-6-8-13(9-7-11)23-12-4-2-1-3-5-12/h1-10H,(H3,18,19,20,21,22)
    2.1.3 InChI Key
    YYVUOZULIDAKRN-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC=C(C=C1)OC2=CC=C(C=C2)C3=C4C(=NC=NC4=NN3)N
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 330786-24-8

    2. 4-amino-3-(4-phenoxyphenyl)-1h-pyrazolo[3,4-d]pyrimidine

    3. Ibrutinib N-2

    4. Ibrutinib Deacryloylpiperidine

    5. 3-(4-phenoxyphenyl)-2h-pyrazolo[3,4-d]pyrimidin-4-amine

    6. Mfcd20270360

    7. 1h-pyrazolo[3,4-d]pyrimidin-4-amine, 3-(4-phenoxyphenyl)-

    8. Ibrutinib Impurity 8

    9. Ibt4a

    10. 3-[4-phenoxyphenyl]pyrazole

    11. Schembl200349

    12. Chembl1242204

    13. Bcp08092

    14. Cs-m2418

    15. Zinc64527573

    16. Akos024464512

    17. Akos032949962

    18. Ds-7365

    19. Sb74532

    20. 3-(4-phenoxy-phenyl)-1(2)h-pyrazole

    21. Ac-28742

    22. Da-25126

    23. Hy-78727

    24. Sy032999

    25. Ft-0696694

    26. A852276

    27. Z2753057767

    28. 4-amino-3-(4-phenoxyphenyl)-1h-pyrazolo[3,4-d]pyrimidine; 3-(4-phenoxyphenyl)-1h-pyrazolo[3,4-d]pyrimidin-4-amine

    2.3 Create Date
    2007-12-05
    3 Chemical and Physical Properties
    Molecular Weight 303.32 g/mol
    Molecular Formula C17H13N5O
    XLogP33
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count3
    Exact Mass303.11201006 g/mol
    Monoisotopic Mass303.11201006 g/mol
    Topological Polar Surface Area89.7 Ų
    Heavy Atom Count23
    Formal Charge0
    Complexity381
    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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    Aarti Pharmalabs

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    3-(4-Phenoxy Phenyl)-1H-pyrazole [3...
    Aarti Pharmalab, earlier the pharma division of Aarti Industries, is a leading Indian manufacturer of API...
    Aarti Pharmalab, earlier the pharma division of Aarti Industries, is a leading Indian manufacturer of APIs. It has dedicated facilities to manufacture HPAPIs, corticosteroids, cytotoxic & oncology products. It has 2 R&D centers & 3 cGMP plants successfully audited by the USFDA, EUGMP, EDQM, KFDA & COFEPRIS. It also offers CDMO services for generic APIs & NCEs, intermediates & key building blocks.

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      Jinan Tantu Chemicals Co., Ltd. operates as a Contract Development and Manufacturing Organization (CDMO) ...
      Jinan Tantu Chemicals Co., Ltd. operates as a Contract Development and Manufacturing Organization (CDMO) that serves pharmaceutical companies worldwide. Our core services include customized R&D as well as the production of small molecule pharmaceutical intermediates and Active Pharmaceutical Ingredients (APIs) for both international and domestic pharmaceutical firms. Our capabilities span from laboratory-scale kilograms to commercial ton-scale production. Additionally, we are committed to independent research and development, as well as the production and sales of high-end pharmaceutical intermediates and API products.
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        Ibrutinib N-2
        Anhui Haikang Pharmaceutical Co., Ltd. was established in 2009 and located in a High-tech industry park, ...
        Anhui Haikang Pharmaceutical Co., Ltd. was established in 2009 and located in a High-tech industry park, Anqing City, Anhui Province---a famous historical and cultural city in China, adjacent to SINOPEC Anqing Branch. This industry park has been declared as a national chemical industry park, providing a strong impetus and solid guarantee for the future development of us. As a production base, Anhui Haikang provides sufficient high-quality pharmaceutical and chemical products.
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          Bulat Pharmaceutical is a fast growing pharmaceutical company, founded in the year 2017, Bulat Pharmaceut...
          Bulat Pharmaceutical is a fast growing pharmaceutical company, founded in the year 2017, Bulat Pharmaceutical is engaged in the manufacturing and sales of high quality APIs and Intermediates.
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            Nanjing Lift Pharmaceutical is a specialized company concentrating on the R&D, production, marketing and ...
            Nanjing Lift Pharmaceutical is a specialized company concentrating on the R&D, production, marketing and technical service of APIs, pharmaceutical intermediates and specialty chemicals. The marketing department is located in Nanjing. We have two GMP facilities in Jiangsu Province and cooperative factories in Zhejiang Province. The leading products range of the company is oncology and anti-diabetes . We also specialize in custom synthesis and contract research which demonstrates our state-of-the-art technology and capacity of synthesis.
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              OctaneX Labs is a leading intermediates and Active Pharmaceutical Ingredients (API) manufacturing company...
              OctaneX Labs is a leading intermediates and Active Pharmaceutical Ingredients (API) manufacturing company specializing in the development of innovative processes for the synthesis of a wide range of products. We also undertake custom pharmaceutical services and contract Research Synthesis. We are commited to create better quality of life by being at the forefront of research, manufacturing and marketing of high quality API'S.As a growing organization, we are aware that we can’t achieve our goals singly. We collaborate and work in unison with a large number of reputed and like-minded partners
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                Royal pharma was started in 2007 – it’s a small scale Advanced Intermediates Manufacturing company. Facilities are in accordance to GMP standards. Currently working with Indian Multinational companies and also with European countries. Its an ISO 9001:2000 certified company. Facilities are in accordance to GMP standards. Currently working with Indian Multinational companies and also with European countries. Facilities are in accordance to GMP standards.
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                  VIDGAS aims to provide our pharmaceutical, Bio pharma, Agrochemical, Food and Fine chemical customers with the highest quality SFC and HPLC purification and isolation solutions that market has to offer. With our 25 years of HPLC experience, we are able to provide variety of products with custom tailored answers for even most difficult separations. Our team of professional Chromatographers is available to assist in HPLC and SFC methods development solutions. Here at VIDGAS we are constantly innovating and pursuing the limits of HPLC and SFC.
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