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    CAS 161798-03-4

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    CAS 161798-03-4
    Also known as: 161798-03-4, Ethyl 2-[3-formyl-4-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylate, 5-thiazolecarboxylic acid, 2-[3-formyl-4-(2-methylpropoxy)phenyl]-4-methyl-, ethyl ester, Ethyl2-(3-formyl-4-isobutoxyphenyl)-4-methylthiazole-5-carboxylate, 2-(3-formyl-4-isobutoxyphenyl)-4-methylthiazole-5-carboxylic acid ethyl ester, 5-thiazolecarboxylic acid, 2-(3-formyl-4-(2-methylpropoxy)phenyl)-4-methyl-, ethyl ester
    Molecular Formula
    C18H21NO4S
    Molecular Weight
    347.4  g/mol
    InChI Key
    AIQMFFCWDAIGNV-UHFFFAOYSA-N
    1 2D Structure

    CAS 161798-03-4

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    ethyl 2-[3-formyl-4-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylate
    2.1.2 InChI
    InChI=1S/C18H21NO4S/c1-5-22-18(21)16-12(4)19-17(24-16)13-6-7-15(14(8-13)9-20)23-10-11(2)3/h6-9,11H,5,10H2,1-4H3
    2.1.3 InChI Key
    AIQMFFCWDAIGNV-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCOC(=O)C1=C(N=C(S1)C2=CC(=C(C=C2)OCC(C)C)C=O)C
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 161798-03-4

    2. Ethyl 2-[3-formyl-4-(2-methylpropoxy)phenyl]-4-methyl-1,3-thiazole-5-carboxylate

    3. 5-thiazolecarboxylic Acid, 2-[3-formyl-4-(2-methylpropoxy)phenyl]-4-methyl-, Ethyl Ester

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

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

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

    7. Febuxostat Impurity 2

    8. Ec 700-743-7

    9. 5-thiazolecarboxylicacid, 2-[3-formyl-4-(2-methylpropoxy)phenyl]-4-methyl-, Ethyl Ester

    10. Schembl457516

    11. Dtxsid90447849

    12. Act06264

    13. Bcp23185

    14. Mfcd13194811

    15. Zinc39351848

    16. Akos005145710

    17. Ac-5910

    18. 2-(3-formyl-4-isobutoxy-phenyl)-4-methyl-thiazole-5-carboxylic Acid Ethyl Ester

    19. As-19561

    20. Db-037993

    21. Am20090756

    22. Ft-0659111

    23. C73087

    24. 798e034

    25. Q-103513

    26. 5-thiazolecarboxylicacid,2-[3-formyl-4-(2-methylpropoxy)phenyl]-4-methyl-,ethyl Ester

    27. Ethyl 2-(3-formyl-4-isobutoxyphenyl)-4-methylthiazole-5- Carboxylate

    28. Ethyl 2-[3-formyl-4-(2-methyl Propoxy)phenyl]-4-methyl-5-thiazolcarboxylate

    2.3 Create Date
    2006-10-26
    3 Chemical and Physical Properties
    Molecular Weight 347.4 g/mol
    Molecular Formula C18H21NO4S
    XLogP34.3
    Hydrogen Bond Donor Count0
    Hydrogen Bond Acceptor Count6
    Rotatable Bond Count8
    Exact Mass347.11912932 g/mol
    Monoisotopic Mass347.11912932 g/mol
    Topological Polar Surface Area93.7 Ų
    Heavy Atom Count24
    Formal Charge0
    Complexity431
    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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    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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      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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        Jinan Lead Pharmaceutical Technology Co., LTD., located in Jinan, Shandong Province, is mainly engaged in...
        Jinan Lead Pharmaceutical Technology Co., LTD., located in Jinan, Shandong Province, is mainly engaged in R&D, production and sales of pharmaceutical raw materials and intermediates. The research and development center is located in Jinan high-tech zone, the production base is located in Ulanqab, Inner Mongolia. The plant has 6 production workshops, covering an area of 1,000,000㎡. At present, we have passed the supplier audit from many domestic pharmaceutical enterprises and world-class pharmaceutical enterprises. Main business: pharmaceutical API and intermediate research and development, production and sales.
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        VASUDHA PHARMA CHEM LIMITED was incorporated, as a public limited company under the Companies Act, 1956 i...
        VASUDHA PHARMA CHEM LIMITED was incorporated, as a public limited company under the Companies Act, 1956 in 1994-95 at Hyderabad in the state of Telangana, India. The company is engaged in the manufacturing of Active Pharmaceutical Ingredients (APIs), Pharma Intermediates for catering to the Global market. Initially, the focus was on the development of cost effective processes for several intermediates related to piperidone & piperidine derivatives. By 2003-04, the company gained world class expertise and became the largest manufacturer of piperidone & piperidine derivatives in the world.
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          A Swiss chemical company specialized in custom design, development, production & sourcing of specialty ch...
          A Swiss chemical company specialized in custom design, development, production & sourcing of specialty chemicals, intermediates and Active Pharmaceutical Ingredients. Driven by technological innovation and our passion for chemistry, we apply inspired science to create complete solutions for your business. With over 25 years of experience in highly regulated markets and a vast network of suppliers and manufacturing partners in Europe, Asia and the Americas, we are dedicated to excellence at every step, from the moment we conceive an idea to the moment we bring your product into the market. Excellence made in Switzerland, trusted by the world.
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          Waterstone is an international pharmaceutical company with its main operations in China. The company is ...
          Waterstone is an international pharmaceutical company with its main operations in China. The company is focused in discovery, development and commercialization of innovative drugs for the treatment of liver and gastrointestinal diseases. With venture capital investments from internationally well-known firms such as BAR Capital, CID Group, Orbimed, and Acorn Camps, the company has established fully integrated capabilities from R&D, API & Finished Drug Product manufacturing to sales/marketing. The company has a strong management team with cross-border experience and advisors with expertise in drug discovery, regulatory, and GMP manufacturing. On top of the forty marked drugs in China, the company has also built a rich pipeline including Drug Master Files with U.S. FDA , candidates in phase II/III clinical tries with cFDA, and several novel preclinical stage antiviral and oncology candidates
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