Methyl 4-Bromo-3,5-dimethylbenzoate - CAS 432022-88-3
Catalog: |
BB025364 |
Product Name: |
Methyl 4-Bromo-3,5-dimethylbenzoate |
CAS: |
432022-88-3 |
Synonyms: |
4-bromo-3,5-dimethylbenzoic acid methyl ester; methyl 4-bromo-3,5-dimethylbenzoate |
IUPAC Name: | methyl 4-bromo-3,5-dimethylbenzoate |
Description: | Methyl 4-Bromo-3,5-dimethylbenzoate (CAS# 432022-88-3) is a useful reagent for the preparation of benzylaminopyrazinylcyclopropanecarboxylic acid derivatives for use as GPR40 receptor activity modulators. |
Molecular Weight: | 243.10 |
Molecular Formula: | C10H11BrO2 |
Canonical SMILES: | CC1=CC(=CC(=C1Br)C)C(=O)OC |
InChI: | InChI=1S/C10H11BrO2/c1-6-4-8(10(12)13-3)5-7(2)9(6)11/h4-5H,1-3H3 |
InChI Key: | TZQNPDBABLCTGL-UHFFFAOYSA-N |
Boiling Point: | 310.8 °C at 760 mmHg |
Density: | 1.38 g/cm3 |
LogP: | 2.85250 |
Publication Number | Title | Priority Date |
WO-2021155316-A1 | Compounds and uses thereof | 20200129 |
US-2019389815-A1 | Benzylaminopyrazinylcyclopropanecarboxylic acids, pharmaceutical compositions and uses thereof | 20170126 |
US-10793530-B2 | Benzylaminopyrazinylcyclopropanecarboxylic acids, pharmaceutical compositions and uses thereof | 20170126 |
EP-3573952-B1 | Benzylaminopyridylcyclopropanecarboxylic acids, pharmaceuticalcompositions and uses thereof | 20170126 |
EP-3573959-B1 | Benzylaminopyrazinylcyclopropanecarboxylic acids, pharmaceutical compositions and uses thereof | 20170126 |
Complexity: | 181 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 241.99424 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 241.99424 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 26.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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