Ethyl 5-Methylindole-2-carboxylate - CAS 16382-15-3
Catalog: |
BB012041 |
Product Name: |
Ethyl 5-Methylindole-2-carboxylate |
CAS: |
16382-15-3 |
Synonyms: |
5-methyl-1H-indole-2-carboxylic acid ethyl ester; ethyl 5-methyl-1H-indole-2-carboxylate |
IUPAC Name: | ethyl 5-methyl-1H-indole-2-carboxylate |
Description: | Ethyl 5-Methylindole-2-carboxylate (CAS# 16382-15-3) is a useful research chemical. |
Molecular Weight: | 203.24 |
Molecular Formula: | C12H13NO2 |
Canonical SMILES: | CCOC(=O)C1=CC2=C(N1)C=CC(=C2)C |
InChI: | InChI=1S/C12H13NO2/c1-3-15-12(14)11-7-9-6-8(2)4-5-10(9)13-11/h4-7,13H,3H2,1-2H3 |
InChI Key: | KMVFKXFOPNKHEM-UHFFFAOYSA-N |
Boiling Point: | 236 °C / 4 mmHg |
Density: | 1.177 g/cm3 |
Appearance: | Solid |
MDL: | MFCD00022703 |
LogP: | 2.65300 |
Publication Number | Title | Priority Date |
WO-2020198435-A1 | Small molecule degraders of stat3 | 20190326 |
WO-2019136442-A1 | Cd16a binding agents and uses thereof | 20180108 |
US-2017253617-A1 | Substituted 5-Membered Heterocyclic Analogs as Protease Activated Receptor 4 (PAR-4) Antagonists | 20160307 |
US-9963466-B2 | Substituted 5-membered heterocyclic analogs as protease activated receptor 4 (PAR-4) antagonists | 20160307 |
TW-201713617-A | Modulators of cystic fibrosis transmembrane conductance regulator | 20151006 |
Complexity: | 242 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 203.094628657 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 203.094628657 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 42.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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