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    CAS 853269-57-5

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    CAS 853269-57-5
    Also known as: 853269-57-5, Schembl1537637, Dtxsid00718012, Zinc71974124, Tert-butyl (1r,2s)-1-(1-methylcyclopropylsulfonyl-carbamoyl)-2-vinylcyclopropylcarbamate, Tert-butyl ((1r,2s)-1-(((1-methylcyclopropyl)sulfonyl)carbamoyl)-2-vinylcyclopropyl)carbamate
    Molecular Formula
    C15H24N2O5S
    Molecular Weight
    344.4  g/mol
    InChI Key
    GUDBJYOHDUEFPZ-MEBBXXQBSA-N
    1 2D Structure

    CAS 853269-57-5

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    tert-butyl N-[(1R,2S)-2-ethenyl-1-[(1-methylcyclopropyl)sulfonylcarbamoyl]cyclopropyl]carbamate
    2.1.2 InChI
    InChI=1S/C15H24N2O5S/c1-6-10-9-15(10,16-12(19)22-13(2,3)4)11(18)17-23(20,21)14(5)7-8-14/h6,10H,1,7-9H2,2-5H3,(H,16,19)(H,17,18)/t10-,15-/m1/s1
    2.1.3 InChI Key
    GUDBJYOHDUEFPZ-MEBBXXQBSA-N
    2.1.4 Canonical SMILES
    CC1(CC1)S(=O)(=O)NC(=O)C2(CC2C=C)NC(=O)OC(C)(C)C
    2.1.5 Isomeric SMILES
    CC1(CC1)S(=O)(=O)NC(=O)[C@]2(C[C@H]2C=C)NC(=O)OC(C)(C)C
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 853269-57-5

    2. Schembl1537637

    3. Dtxsid00718012

    4. Zinc71974124

    5. Tert-butyl (1r,2s)-1-(1-methylcyclopropylsulfonyl-carbamoyl)-2-vinylcyclopropylcarbamate

    6. Tert-butyl ((1r,2s)-1-(((1-methylcyclopropyl)sulfonyl)carbamoyl)-2-vinylcyclopropyl)carbamate

    7. Tert-butyl {(1r,2s)-2-ethenyl-1-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]cyclopropyl}carbamate

    8. Tert-butyl N-[(1r,2s)-2-ethenyl-1-[(1-methylcyclopropyl)sulfonylcarbamoyl]cyclopropyl]carbamate

    9. Tert-butyl((1r,2s)-1-(((1-methylcyclopropyl)sulfonyl)carbamoyl)-2-vinylcyclopropyl)carbamate

    2.3 Create Date
    2012-02-23
    3 Chemical and Physical Properties
    Molecular Weight 344.4 g/mol
    Molecular Formula C15H24N2O5S
    XLogP31.5
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count5
    Rotatable Bond Count7
    Exact Mass344.14059304 g/mol
    Monoisotopic Mass344.14059304 g/mol
    Topological Polar Surface Area110 Ų
    Heavy Atom Count23
    Formal Charge0
    Complexity640
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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                                            Nanjing Clasien Pharmaceutical & Chemical Co., Ltd. is a high-tech enterprise located in Nanjing, the pro...
                                            Nanjing Clasien Pharmaceutical & Chemical Co., Ltd. is a high-tech enterprise located in Nanjing, the provincial capital of Jiangsu Province, with excellent location and convenient transportation. We are mainly engaged in R & D, production and sales of new drugs, Pesticide and other fine chemicals. We have two R&D centers and a modern production base, can develop and produce new chemical products ranging from kilograms to tons.
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                                              (1R,2S)-1-[[(1,1-Dimethylethoxy)carbonyl]amino]- 2-ethe...

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                                              159622-09-0
                                              Voxilaprevir
                                              Nanjing Clasien Pharmaceutical & Chemical Co., Ltd. is a high-tech enterprise located in Nanjing, the pro...
                                              Nanjing Clasien Pharmaceutical & Chemical Co., Ltd. is a high-tech enterprise located in Nanjing, the provincial capital of Jiangsu Province, with excellent location and convenient transportation. We are mainly engaged in R & D, production and sales of new drugs, Pesticide and other fine chemicals. We have two R&D centers and a modern production base, can develop and produce new chemical products ranging from kilograms to tons.
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                                                (1R,2S)-1-tert-Butoxycarb onylamino-2-vinylcyclopr opan...

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                                                159622-10-3
                                                Voxilaprevir
                                                Nanjing Clasien Pharmaceutical & Chemical Co., Ltd. is a high-tech enterprise located in Nanjing, the pro...
                                                Nanjing Clasien Pharmaceutical & Chemical Co., Ltd. is a high-tech enterprise located in Nanjing, the provincial capital of Jiangsu Province, with excellent location and convenient transportation. We are mainly engaged in R & D, production and sales of new drugs, Pesticide and other fine chemicals. We have two R&D centers and a modern production base, can develop and produce new chemical products ranging from kilograms to tons.
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                                                bora-pharmaceuticals-2024-07-01

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                                                Symbiotec: Global API manufacturer, specializing in Cortico-Steroids & Steroid-Hormone APIs.

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