5-Benzyloxyindole-3-acetic Acid - CAS 4382-53-0
Catalog: |
BB025471 |
Product Name: |
5-Benzyloxyindole-3-acetic Acid |
CAS: |
4382-53-0 |
Synonyms: |
2-(5-phenylmethoxy-1H-indol-3-yl)acetic acid; 2-(5-phenylmethoxy-1H-indol-3-yl)acetic acid |
IUPAC Name: | 2-(5-phenylmethoxy-1H-indol-3-yl)acetic acid |
Description: | 5-Benzyloxyindole-3-acetic Acid can be used for biological study for molecular recognition of indole derivatives by polymers imprinted with indole-3-acetic acid. |
Molecular Weight: | 281.31 |
Molecular Formula: | C17H15NO3 |
Canonical SMILES: | C1=CC=C(C=C1)COC2=CC3=C(C=C2)NC=C3CC(=O)O |
InChI: | InChI=1S/C17H15NO3/c19-17(20)8-13-10-18-16-7-6-14(9-15(13)16)21-11-12-4-2-1-3-5-12/h1-7,9-10,18H,8,11H2,(H,19,20) |
InChI Key: | GKIOPUYLJUOZHJ-UHFFFAOYSA-N |
Boiling Point: | 533.2 °C at 760 mmHg |
Density: | 1.314 g/cm3 |
MDL: | MFCD00022750 |
LogP: | 3.37400 |
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 |
WO-2021203007-A1 | Substituted 5-hydroxyindole compounds as modulators of alpha-1 antitrypsin | 20200403 |
CN-108531123-A | A kind of preparation method of the adhesive for polyurethane of water boiling resistance | 20180324 |
JP-WO2018164214-A1 | Plant growth regulator | 20170308 |
WO-2018164214-A1 | Plant growth regulator | 20170308 |
US-2021235697-A1 | Plant growth regulator | 20170308 |
PMID | Publication Date | Title | Journal |
17481907 | 20070701 | Binding of ring-substituted indole-3-acetic acids to human serum albumin | Bioorganic & medicinal chemistry |
12182852 | 20020916 | Halogenated indole-3-acetic acids as oxidatively activated prodrugs with potential for targeted cancer therapy | Bioorganic & medicinal chemistry letters |
Complexity: | 354 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 281.10519334 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 281.10519334 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 62.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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