2-Chloro-6-ethoxyquinoline-3-carboxaldehyde - CAS 281208-98-8
Catalog: |
BB019769 |
Product Name: |
2-Chloro-6-ethoxyquinoline-3-carboxaldehyde |
CAS: |
281208-98-8 |
Synonyms: |
2-chloro-6-ethoxyquinoline-3-carbaldehyde |
IUPAC Name: | 2-chloro-6-ethoxyquinoline-3-carbaldehyde |
Description: | 2-Chloro-6-ethoxyquinoline-3-carboxaldehyde (CAS# 281208-98-8) is a useful research chemical for the preparation of coumarin hydrazide-hydrazone derivatives as it is being studied and has shown to have antitumor activities against resistant pancreatic carcinoma (Panc-1), hepatocellular carcinoma (HepG2) and leukemia (CCRF) cell lines. |
Molecular Weight: | 235.67 |
Molecular Formula: | C12H10ClNO2 |
Canonical SMILES: | CCOC1=CC2=CC(=C(N=C2C=C1)Cl)C=O |
InChI: | InChI=1S/C12H10ClNO2/c1-2-16-10-3-4-11-8(6-10)5-9(7-15)12(13)14-11/h3-7H,2H2,1H3 |
InChI Key: | BNLBYGHJJYCBEJ-UHFFFAOYSA-N |
Boiling Point: | 384 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.302 g/cm3 |
LogP: | 3.09940 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] |
Precautionary Statement: | P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
AU-2012219316-A1 | Substituted 6,7-dialkoxy-3-isoquinolinol derivatives as inhibitors of phosphodiesterase 10 (PDE10A) | 20110218 |
CA-2827724-A1 | Substituted 6,7-dialkoxy-3-isoquinolinol derivatives as inhibitors of phosphodiesterase 10 (pde10a) | 20110218 |
EP-2675791-A1 | Substituted 6,7-dialkoxy-3-isoquinolinol derivatives as inhibitors of phosphodiesterase 10 (pde10a) | 20110218 |
EP-2675791-B1 | Substituted 6,7-dialkoxy-3-isoquinolinol derivatives as inhibitors of phosphodiesterase 10 (pde10a) | 20110218 |
JP-2014510055-A | Substituted 6,7-dialkoxy-3-isoquinolinol derivatives as phosphodiesterase 10 (PDE10A) inhibitors | 20110218 |
Complexity: | 249 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 235.0400063 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 235.0400063 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 39.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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Quinoline/Isoquinoline
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