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    161798-01-2

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    161798-01-2
    Also known as: 161798-01-2, Febuxostat impurity 1, Ethyl 2-(3-formyl-4-hydroxyphenyl)-4-methyl thiazole-5-carboxylate, Ethyl2-(3-formyl-4-hydroxyphenyl)-4-methylthiazole-5-carboxylate, Ethyl 2-(3-formyl-4-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate, 5-thiazolecarboxylic acid, 2-(3-formyl-4-hydroxyphenyl)-4-methyl-, ethyl ester
    Molecular Formula
    C14H13NO4S
    Molecular Weight
    291.32  g/mol
    InChI Key
    NJRGQNNSIAFIJC-UHFFFAOYSA-N
    1 2D Structure

    161798-01-2

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    ethyl 2-(3-formyl-4-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate
    2.1.2 InChI
    InChI=1S/C14H13NO4S/c1-3-19-14(18)12-8(2)15-13(20-12)9-4-5-11(17)10(6-9)7-16/h4-7,17H,3H2,1-2H3
    2.1.3 InChI Key
    NJRGQNNSIAFIJC-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCOC(=O)C1=C(N=C(S1)C2=CC(=C(C=C2)O)C=O)C
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 161798-01-2

    2. Febuxostat Impurity 1

    3. Ethyl 2-(3-formyl-4-hydroxyphenyl)-4-methyl Thiazole-5-carboxylate

    4. Ethyl2-(3-formyl-4-hydroxyphenyl)-4-methylthiazole-5-carboxylate

    5. Ethyl 2-(3-formyl-4-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate

    6. 5-thiazolecarboxylic Acid, 2-(3-formyl-4-hydroxyphenyl)-4-methyl-, Ethyl Ester

    7. Mfcd13194810

    8. 2-(3-formyl-4-hydroxyphenyl)-4-methylthiazole-5-carboxylic Acid Ethyl Ester

    9. Ec 692-179-2

    10. Schembl454793

    11. Dtxsid901138017

    12. Act06263

    13. Bcp23103

    14. Zinc39351849

    15. Akos015897623

    16. Ac-5909

    17. Cs-w022643

    18. Ds-1887

    19. 5-thiazolecarboxylicacid, 2-(3-formyl-4-hydroxyphenyl)-4-methyl-, Ethyl Ester

    20. Sy110916

    21. Db-002199

    22. Am20090757

    23. E1394

    24. Ft-0657500

    25. 798e012

    26. Q-103512

    27. Ethyl-2-(3-formyl-4-hydroxyphenyl)-4-methyl-5-thiazole Carboxylate

    28. Ethyl 2-(3-formyl-4-hydroxyphenyl)-4-methyl Thiazole-5- Carboxylate

    29. 2-(3-formyl-4-hydroxyphenyl)-4-methyl-5-thiazolecarboxylic Acid Ethyl Ester

    30. 5-thiazolecarboxylic Acid,2-(3-formyl-4-hydroxyphenyl)-4-methyl-,ethyl Ester

    2.3 Create Date
    2019-01-15
    3 Chemical and Physical Properties
    Molecular Weight 291.32 g/mol
    Molecular Formula C14H13NO4S
    XLogP33.2
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count5
    Exact Mass291.05652907 g/mol
    Monoisotopic Mass291.05652907 g/mol
    Topological Polar Surface Area105 Ų
    Heavy Atom Count20
    Formal Charge0
    Complexity365
    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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    Jinan Tantu Chemicals

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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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      Shandong Boyuan Pharmaceutical

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      We are one of the well-known manufacturers of key APIs & intermediates in China, with 20 years of experie...
      We are one of the well-known manufacturers of key APIs & intermediates in China, with 20 years of experience & presence in 20+ countries. At Boyuan, we are committed to providing high-quality products & services. Formerly known as “Jinan Boyuan Chemical Co., Ltd” & “Shandong Boyuan Chemical Co., Ltd.” Boyuan was founded in June 2001. We have 2 manufacturing plants in the cities of Jiyang & Yucheng in Shandong Province, China & both are in line with the GMP standard, following a strict quality system & conforming with international standards. Boyuan is dedicated to anti-cancer, anti-fungal & other APIs & intermediates associated.
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      Shanghai Minbiotech

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        ​Headquartered in Fengxian District, Shanghai Minbiotch Co., Ltd. is a company specializing in the R&D ...
        ​Headquartered in Fengxian District, Shanghai Minbiotch Co., Ltd. is a company specializing in the R&D and production of advanced pharmaceutical intermediates and biological APIs. There are more than 1000 square meters of R&D centers in Nantong, Jiangsu and Jinan, Shandong, with more than 13,000㎡ of production sites. While supplying products to customers, the company also provides services such as technology development, technology transfer and technology exchange, aiming to provide customers with comprehensive supply and solutions in the biomedical industry.
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        Shandong Huayang Pharmaceutical

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          Shandong Huayang Pharmaceutical Co., Ltd./Juye Xiandai Fine Chemical Co., Ltd began operations in 2009 wi...
          Shandong Huayang Pharmaceutical Co., Ltd./Juye Xiandai Fine Chemical Co., Ltd began operations in 2009 within the chemical industry hub of Juye County, Heze City, Shandong Province. As a nationally recognized high-tech enterprise, we specialize in the research, development, and production of Active Pharmaceutical Ingredients (APIs) and intermediates. Our facilities span a combined area exceeding 145,200 square meters across two plants.
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          euroapi-2024-05-06

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