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    CAS 2190506-55-7

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    CAS 2190506-55-7
    Also known as: 2190506-55-7, Starbld0008510, Schembl19890330, Mfcd31735566, 7-(1-boc-4-piperidyl)-2-(4-phenoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile, Sy122642
    Molecular Formula
    C29H29N5O3
    Molecular Weight
    495.6  g/mol
    InChI Key
    KMWRWUBEVNQXEE-UHFFFAOYSA-N
    1 2D Structure

    CAS 2190506-55-7

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    tert-butyl 4-[3-cyano-2-(4-phenoxyphenyl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate
    2.1.2 InChI
    InChI=1S/C29H29N5O3/c1-29(2,3)37-28(35)33-17-14-20(15-18-33)25-13-16-31-27-24(19-30)26(32-34(25)27)21-9-11-23(12-10-21)36-22-7-5-4-6-8-22/h4-13,16,20H,14-15,17-18H2,1-3H3
    2.1.3 InChI Key
    KMWRWUBEVNQXEE-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CC(C)(C)OC(=O)N1CCC(CC1)C2=CC=NC3=C(C(=NN23)C4=CC=C(C=C4)OC5=CC=CC=C5)C#N
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 2190506-55-7

    2. Starbld0008510

    3. Schembl19890330

    4. Mfcd31735566

    5. 7-(1-boc-4-piperidyl)-2-(4-phenoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile

    6. Sy122642

    2.3 Create Date
    2018-06-23
    3 Chemical and Physical Properties
    Molecular Weight 495.6 g/mol
    Molecular Formula C29H29N5O3
    XLogP34.7
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count6
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area92.8
    Heavy Atom Count37
    Formal Charge0
    Complexity815
    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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    Integrin Life Sciences

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      tert-Butyl (E)-4-(3-(Dimethylamino)acryloyl)piperidine-...

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      Integrin Life Sciences Pvt. Ltd. is one of the growing pharmaceutical API, advanced chemical intermediate...
      Integrin Life Sciences Pvt. Ltd. is one of the growing pharmaceutical API, advanced chemical intermediates manufacturing companies in India. Our Plant is Located in Jaggaiahpet APIIC Industrial Estate, Krishna District, Near the National highway from Hyderabad to Vijayawada, from Hyderabad Airport to 200 km. Integrin is Managed by young entrepreneurs having vast experience in various fields like R & D, production, and marketing of active pharmaceutical ingredients. Integrin life sciences in multi Therapeutic SegmentsLike AntiUlcer, AntiPsychotics, Anti Histamines Anti Fungal and AntiDepressants.
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        3-Amino-4-cyano-5-(4-phenoxyphenyl)pyrazole

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        Integrin Life Sciences Pvt. Ltd. is one of the growing pharmaceutical API, advanced chemical intermediate...
        Integrin Life Sciences Pvt. Ltd. is one of the growing pharmaceutical API, advanced chemical intermediates manufacturing companies in India. Our Plant is Located in Jaggaiahpet APIIC Industrial Estate, Krishna District, Near the National highway from Hyderabad to Vijayawada, from Hyderabad Airport to 200 km. Integrin is Managed by young entrepreneurs having vast experience in various fields like R & D, production, and marketing of active pharmaceutical ingredients. Integrin life sciences in multi Therapeutic SegmentsLike AntiUlcer, AntiPsychotics, Anti Histamines Anti Fungal and AntiDepressants.
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          Royal pharma was started in 2007 – it’s a small scale Advanced Intermediates Manufacturing company. F...
          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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          4-acetyl-piperidine-1-carboxylic acid tert-butyl ester

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          Established in 2000, Shodhana Laboratories offers a wide range of APIs and intermediates and caters to th...
          Established in 2000, Shodhana Laboratories offers a wide range of APIs and intermediates and caters to the generic and custom requirements of some of the most prestigious pharma companies. It is WHO-GMP, ISO 9001-2008 and ISO 14000:2004 certified. Shodhana develops quality products through cutting-edge research, expertise and the best drug manufacturing practices. Its manufacturing processes are as per ICH guidelines and cGMP-compliant. Shodhana also has a world-class R&D lab manned by a team of highly qualified scientists. Shodhana exports the highest-quality APIs and intermediates to markets across several countries.
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            VIDGAS aims to provide our pharmaceutical, Bio pharma, Agrochemical, Food and Fine chemical customers wit...
            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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