(E)-3,5-Dichloro-4-(3-ethoxy-2-methyl-3-oxo-1-propen-1-yl)benzoic Acid - CAS 1110767-89-9
Catalog: |
BB002708 |
Product Name: |
(E)-3,5-Dichloro-4-(3-ethoxy-2-methyl-3-oxo-1-propen-1-yl)benzoic Acid |
CAS: |
1110767-89-9 |
Synonyms: |
3,5-dichloro-4-[(E)-3-ethoxy-2-methyl-3-oxoprop-1-enyl]benzoic acid; 3,5-dichloro-4-[(E)-3-ethoxy-2-methyl-3-oxoprop-1-enyl]benzoic acid |
IUPAC Name: | 3,5-dichloro-4-[(E)-3-ethoxy-2-methyl-3-oxoprop-1-enyl]benzoic acid |
Description: | (E)-3,5-Dichloro-4-(3-ethoxy-2-methyl-3-oxo-1-propen-1-yl)benzoic Acid (CAS# 1110767-89-9) is an intermiediate of Lusutrombopag (L474985), a newly discovered thrombopoietin receptor agonist used in the treatment of patients with chronic ITP. |
Molecular Weight: | 303.14 |
Molecular Formula: | C13H12Cl2O4 |
Canonical SMILES: | CCOC(=O)C(=CC1=C(C=C(C=C1Cl)C(=O)O)Cl)C |
InChI: | InChI=1S/C13H12Cl2O4/c1-3-19-13(18)7(2)4-9-10(14)5-8(12(16)17)6-11(9)15/h4-6H,3H2,1-2H3,(H,16,17)/b7-4+ |
InChI Key: | YHVIKIKTANFPCN-QPJJXVBHSA-N |
LogP: | 3.65800 |
Publication Number | Title | Priority Date |
EP-3511332-A1 | Novel 2-acylaminothiazole derivative and preparation method therefor and use thereof | 20160908 |
JP-2019529342-A | New 2-amidothiazole derivative, and production method and use thereof | 20160908 |
US-2019315771-A1 | Novel 2-acylaminothiazole derivative and preparation method therefor and use thereof | 20160908 |
WO-2018045907-A1 | Novel 2-acylaminothiazole derivative and preparation method therefor and use thereof | 20160908 |
CN-109415371-B | 2-amido thiazole derivative and preparation method and application thereof | 20160908 |
Complexity: | 369 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 302.0112642 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 302.0112642 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 63.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.7 |
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