5,6-Dimethoxyindole - CAS 14430-23-0
Catalog: |
BB009758 |
Product Name: |
5,6-Dimethoxyindole |
CAS: |
14430-23-0 |
Synonyms: |
5,6-dimethoxy-1H-indole |
IUPAC Name: | 5,6-dimethoxy-1H-indole |
Description: | An indole derivative as analgesic antiinflammatory useful in treatment of pain, inflammation. |
Molecular Weight: | 177.20 |
Molecular Formula: | C10H11NO2 |
Canonical SMILES: | COC1=C(C=C2C(=C1)C=CN2)OC |
InChI: | InChI=1S/C10H11NO2/c1-12-9-5-7-3-4-11-8(7)6-10(9)13-2/h3-6,11H,1-2H3 |
InChI Key: | QODBZRNBPUPLEZ-UHFFFAOYSA-N |
Boiling Point: | 198 °C 8mm 320.3 °C at 760 mmHg |
Melting Point: | 154-157 °C |
Purity: | 95 % |
Density: | 1.182 g/cm3 |
Appearance: | Beige powder |
MDL: | MFCD00005675 |
LogP: | 2.18510 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111620885-A | Poly R-indole blue light absorber and preparation method and application thereof | 20200630 |
WO-2020210649-A1 | Bicyclic heteroaryl derivatives as ectonucleotide pyrophosphatase phosphodiesterase 1 inhibitors | 20190412 |
TW-202103708-A | Bicyclic heteroaryl derivatives as ectonucleotide pyrophosphatase phosphodiesterase 1 inhibitors | 20190412 |
US-2021154213-A1 | Pharmacological agents for treating ocular diseases | 20180405 |
CN-111247137-A | Pyrimidine compound, preparation method and medical application thereof | 20180213 |
PMID | Publication Date | Title | Journal |
21577822 | 20090905 | Methyl 5,6-dimeth-oxy-1H-indole-2-carboxyl-ate | Acta crystallographica. Section E, Structure reports online |
15163202 | 20040603 | Generation of new protein kinase inhibitors utilizing cytochrome p450 mutant enzymes for indigoid synthesis | Journal of medicinal chemistry |
Complexity: | 174 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 177.078978594 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 177.078978594 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 34.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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