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6-Chloro-3-indoxyl caprylate

CAS 159954-35-5Formula C16H20ClNO2MW 293.79PubChem 9882571

6-Chloro-3-indoxyl caprylate is an organic compound (C16H20ClNO2) primarily used in research settings as a biochemical reagent, often as a chromogenic or fluorogenic substrate for enzyme assays, particularly for detecting esterase activity.

Loading RDKit molecule structure...
InChIKey: KBOGGXOQZZEFSL-UHFFFAOYSA-NC16H20ClNO2 | MW 293.79

Chemical Identity

Molecular Formula

C16H20ClNO2

Molecular Weight

293.79 g/mol

Exact Mass

293.118257

PubChem CID

9882571

IUPAC Name

(6-chloro-1H-indol-3-yl) octanoate

SMILES String

CCCCCCCC(=O)Oc1c[nH]c2cc(Cl)ccc12

Names & Synonyms

6-Chloro-1H-indol-3-yl octanoateHY-W638077C-4820
External Identifiers
MFCD00798392orb2940911SCHEMBL1122032DTXSID20432344TXB-00207AKOS015914649EC32006FD10411

Catalog Overview

6-Chloro-3-indoxyl caprylate, identified by CAS number 159954-35-5, is a chlorinated indoxyl derivative esterified with caprylic acid. This compound has a molecular weight of 293. 79 g/mol and an InChIKey of KBOGGXOQZZEFSL-UHFFFAOYSA-N. In research, indoxyl derivatives are often employed as chromogenic or fluorogenic substrates in enzyme assays, particularly for esterases or glycosidases, where the cleavage of the ester bond releases the indoxyl moiety, which then oxidizes to form an insoluble colored precipitate or a fluorescent product.

Use Context

  • Research chemical sourcing
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Read more catalog context

6-Chloro-3-indoxyl caprylate, identified by CAS number 159954-35-5, is a chlorinated indoxyl derivative esterified with caprylic acid. This compound has a molecular weight of 293.79 g/mol and an InChIKey of KBOGGXOQZZEFSL-UHFFFAOYSA-N. In research, indoxyl derivatives are often employed as chromogenic or fluorogenic substrates in enzyme assays, particularly for esterases or glycosidases, where the cleavage of the ester bond releases the indoxyl moiety, which then oxidizes to form an insoluble colored precipitate or a fluorescent product. The presence of the chloro group can influence the spectral properties or reactivity of the indoxyl. This compound is suitable for various biochemical and histochemical research applications requiring a specific enzyme substrate.

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

white solid

Physical State

solid

Melting Point

115.0 °C

Boiling Point

380.0 °C

Density

1.22 g/cm³

Water Solubility

7.59 × 10⁻⁶ mol/L

Flash Point

247.3 °C

Applications / Classifications

Research intermediateCustom synthesis building block

Biological Target Reference

No verified biological target assignment. This compound is listed primarily as a research or synthetic intermediate.

Preliminary Safety-Style Reference

Preliminary

Preliminary safety-style information for reference only. Not a supplier SDS.

Handling and Storage
  • Handle 6-Chloro-3-indoxyl caprylate with appropriate personal protective equipment, including gloves, eye protection, and a lab coat. Use in a well-ventilated area or under a fume hood to avoid inhalation. Avoid contact with skin and eyes. In case of contact, rinse thoroughly with water. Refer to the Safety Data Sheet (SDS) for comprehensive safety information and emergency procedures. Store in a cool, dry place, away from incompatible materials.

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