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Goat-IN-1

CAS 1452473-54-9Formula C18H13ClF3NO3SMW 415.8PubChem 89767718

Goat-IN-1 (CAS 1452473-54-9) is a research-use organic compound with the molecular formula C18H13ClF3NO3S and a molecular weight of 415.80. It features a benzothiophene core, a trifluoromethyl-substituted pyridine moiety, and an acetic acid group. This compound is suitable for various chemical and biological research applications.

Loading RDKit molecule structure...
InChIKey: IXAAPJMGWLXOIL-UHFFFAOYSA-NC18H13ClF3NO3S | MW 415.8

Chemical Identity

Molecular Formula

C18H13ClF3NO3S

Molecular Weight

415.8 g/mol

Exact Mass

415.025677

PubChem CID

89767718

IUPAC Name

2-[4-chloro-6-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzothiophen-3-yl]acetic acid

SMILES String

Cc1nc(C(F)(F)F)ccc1COc1cc(Cl)c2c(CC(=O)O)csc2c1

Names & Synonyms

(4-Chloro-6-((2-methyl-6-(trifluoromethyl)pyridin-3-yl)methoxy)-1-benzothiophen-3-yl)acetic acidC18H13ClF3NO3SG16499T114482-(4-Chloro-6-((2-methyl-6-(trifluoromethyl)pyridin-3-yl)methoxy)benzo[b]thiophen-3-yl)acetic acid
Show all synonyms
2-[4-chloro-6-[[2-methyl-6-(trifluoromethyl)-3-pyridyl]methoxy]benzothiophen-3-yl]acetic acid
External Identifiers
orb1709564CHEMBL5088394SCHEMBL15211217CIC47354AKOS040733294DA-53670MS-27229HY-103479CS-0027983

Catalog Overview

Goat-IN-1, identified by CAS number 1452473-54-9, is a synthetic organic compound with the IUPAC name 2-[4-chloro-6-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]methoxy]-1-benzothiophen-3-yl]acetic acid. Its molecular structure features a 4-chloro-6-methoxy-1-benzothiophene core, a 2-methyl-6-(trifluoromethyl)pyridine substituent, and an acetic acid functional group. With a molecular weight of 415.80 g/mol and an exact mass of 415.025677, this compound is classified as research-oriented and research-oriented, making it a valuable tool for research in medicinal chemistry and drug discovery. It is strictly for Research Use Only (RUO).

Use Context

  • Research chemical sourcing
  • Custom synthesis and catalog availability review
  • COA, SDS, pricing, and fulfillment workflow

Physical Data

Estimated

Estimated / predicted physical property values for catalog reference.

Appearance

White crystalline powder

Physical State

Solid

Melting Point

165.0 °C

Boiling Point

520.0 °C

Density

1.4 g/cm³

Water Solubility

Slightly soluble

Flash Point

270.0 °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 Goat-IN-1 in a well-ventilated area or fume hood. Always wear appropriate personal protective equipment, including chemical-resistant gloves, safety glasses or goggles, and a lab coat. Avoid inhalation of dust or vapors, ingestion, and direct skin or eye contact. In case of accidental exposure, follow first aid procedures and seek medical attention immediately. Store the compound in a cool, dry, and well-sealed container, away from incompatible materials. Consult the Safety Data Sheet (SDS) for complete safety and handling information before use.

Related Products / Graph Discovery

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