Methyl 1H-indazole-3-carboxylate - CAS 43120-28-1
Catalog: |
BB025328 |
Product Name: |
Methyl 1H-indazole-3-carboxylate |
CAS: |
43120-28-1 |
Synonyms: |
methyl 1H-indazole-3-carboxylate |
IUPAC Name: | methyl 1H-indazole-3-carboxylate |
Description: | Indazole-3-carboxylic Acid Methyl Ester has potential as application of N-benzoylindazole derivatives and analogues as inhibitors of human neutrophil elastase. Also used in the preparation of indazole-pyridine based protain kinase/Akt inhibitors. |
Molecular Weight: | 176.17 |
Molecular Formula: | C9H8N2O2 |
Canonical SMILES: | COC(=O)C1=NNC2=CC=CC=C21 |
InChI: | InChI=1S/C9H8N2O2/c1-13-9(12)8-6-4-2-3-5-7(6)10-11-8/h2-5H,1H3,(H,10,11) |
InChI Key: | KWTCVAHCQGKXAZ-UHFFFAOYSA-N |
Boiling Point: | 345.2 °C at 760 mmHg |
Purity: | 97.0 % |
Density: | 1.324 g/cm3 |
MDL: | MFCD01138133 |
LogP: | 1.34950 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
AU-2021100660-A4 | Substituted 3-Indazole MCL-1 Inhibitor, Preparation Method and Use Thereof | 20200521 |
WO-2021046789-A1 | Indazole-carboxamide derivative and use thereof | 20190912 |
CN-112805282-A | Indazole-carboxamide derivatives and uses thereof | 20190912 |
WO-2021000935-A1 | Hpk1 inhibitors and uses thereof | 20190704 |
CN-110003187-A | A kind of Polyfluoroalkyl replaces benzofuran compounds and preparation method thereof | 20190510 |
Complexity: | 208 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 176.058577502 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 176.058577502 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 55 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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Carbonyl Compounds
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