loader
Please Wait
Applying Filters...

Renejix CDMO Partner for Small Molecule Oral Dosage Forms Renejix CDMO Partner for Small Molecule Oral Dosage Forms

X
menu

    Market Place

    Market Place

    Post Enquiry

    Post Enquiry
    menu

    Technical details about 2199-59-9, learn more about the structure, uses, toxicity, action, side effects and more

    Client Email Product
    Menu

    2199-59-9

    Manufacturers/Suppliers

    PharmaCompass

    Biophore is a research-driven global pharmaceutical company focused on niche APIs for the generic industry.

    Athena Pharmaceutiques is a Partner of Choice for Drug Delivery & Life Cycle Management.

    2D Structure
    1. Also known as: 2199-59-9, 5-formyl-2,4-dimethyl-1h-pyrrole-3-carboxylic acid ethyl ester, 2,4-dimethyl-3-ethoxycarbonyl-5-formylpyrrole, Ethyl 5-formyl-2,4-dimethylpyrrole-3-carboxylate, 1h-pyrrole-3-carboxylic acid, 5-formyl-2,4-dimethyl-, ethyl ester, Mfcd00030352
    Molecular Formula
    C10H13NO3
    Molecular Weight
    195.21  g/mol
    InChI Key
    GDISALBEIGGPER-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    ethyl 5-formyl-2,4-dimethyl-1H-pyrrole-3-carboxylate
    2.1.2 InChI
    InChI=1S/C10H13NO3/c1-4-14-10(13)9-6(2)8(5-12)11-7(9)3/h5,11H,4H2,1-3H3
    2.1.3 InChI Key
    GDISALBEIGGPER-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    CCOC(=O)C1=C(NC(=C1C)C=O)C
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 2199-59-9

    2. 5-formyl-2,4-dimethyl-1h-pyrrole-3-carboxylic Acid Ethyl Ester

    3. 2,4-dimethyl-3-ethoxycarbonyl-5-formylpyrrole

    4. Ethyl 5-formyl-2,4-dimethylpyrrole-3-carboxylate

    5. 1h-pyrrole-3-carboxylic Acid, 5-formyl-2,4-dimethyl-, Ethyl Ester

    6. Mfcd00030352

    7. 5-formyl-2,4-dimethyl-3-pyrrolecarboxylic Acid Ethyl Ester

    8. Ethyl 2,4-dimethyl-5-formylpyrrole-3-carboxylate

    9. Nsc13426

    10. Ethyl 3,5-dimethyl-2-formylpyrrole-4-carboxylate

    11. Ethyl5-formyl-2,4-dimethyl-1h-pyrrole-3-carboxylate

    12. Schembl1627475

    13. Dtxsid60176417

    14. 5-formyl-2,4-dimethyl-1h-pyrrole-3-carboxylicacidethylester

    15. Act01683

    16. Bcp04682

    17. Zinc1729614

    18. Bbl101193

    19. Nsc 13426

    20. Nsc-13426

    21. Stl554989

    22. Akos001132948

    23. Ab01501

    24. Ac-4254

    25. Cs-w002153

    26. Ps-6285

    27. Wt81730

    28. Ncgc00335024-01

    29. Sy020518

    30. Db-012270

    31. Am20090212

    32. E1051

    33. Ft-0634119

    34. En300-13240

    35. A13183

    36. Ab01327007-02

    37. 199f599

    38. Ethyl 5-formyl-2,4-dimethyl-3-pyrrolecarboxylate

    39. 2,4-dimethyl-3-carbethoxy Pyrrole-5-carboxaldehyde

    40. J-521137

    41. 4-ethoxycarbonyl-3,5-dimethylpyrrole-2-carboxaldehyde

    42. 5-formyl-2,4-dimethyl-pyrrole-3-carboxylic Acid Ethyl Ester

    43. 2,4-dimethyl-5-formyl-1h-pyrrole-3-carboxylic Acid Ethyl Ester

    2.3 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 195.21 g/mol
    Molecular Formula C10H13NO3
    XLogP31.5
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count4
    Exact Mass195.08954328 g/mol
    Monoisotopic Mass195.08954328 g/mol
    Topological Polar Surface Area59.2 Ų
    Heavy Atom Count14
    Formal Charge0
    Complexity229
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    Post Enquiry
    POST ENQUIRY