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3-Indoxyl caprylate

CAT: 0013-GTR19351276-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19351276-01Size:25 mg
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Description
3-Indoxyl caprylate is a chemiluminescent substrate used to detect enzymatic activity, particularly from bacterial sources. It is applied in both in vitro assays and in vivo imaging studies for monitoring bacterial infections and host-pathogen interactions in research models.
CAS Number
133950-66-0
Molecular Weight
259.34
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1H-indol-3-yl octanoate
CAS Number133950-66-0
PubChem CID14821423
IUPAC Name1H-indol-3-yl octanoate
Molecular FormulaC16H21NO2
Molecular Weight259.34
XLogP5
Topological Polar Surface Area42.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count8
Heavy Atom Count19
Formal Charge0
Complexity280
SMILES
CCCCCCCC(=O)OC1=CNC2=CC=CC=C21
InChI
InChI=1S/C16H21NO2/c1-2-3-4-5-6-11-16(18)19-15-12-17-14-10-8-7-9-13(14)15/h7-10,12,17H,2-6,11H2,1H3
InChIKey
AAJGQCIQSZVTAL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1H-indol-3-yl octanoate
CAS: 133950-66-0
CID: 14821423
Formula: C16H21NO2
MW: 259.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight259.34
XLogP35
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count8
Exact Mass259.157228913
Monoisotopic Mass259.157228913
Topological Polar Surface Area42.1 Ų
Heavy Atom Count19
Formal Charge0
Complexity280
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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B-7102_P00-015-Bromo-6-chloro-3-indoxyl caprylate, Patent WO 2022/038120
997216-Chloro-3-Indolyl-Caprylate (Salmon Caprylate) for molecular biology, 97%
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BIB60115-Bromo-3-indolyl caprylate
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