5-Bromo-4-chloro-3-indoxyl palmitate - ≥98% , CAS No.341972-98-3

CAS: 341972-98-3 Cat. No.: B331645 Molecular Weight: 484.9 PubChem CID: 2733918

GRADE & PURITY ≥98%

Synonyms

5-bromo-4-chloro-1H-indol-3-yl hexadecanoate | FD10402 | (5-bromo-4-chloro-1H-indol-3-yl) Hexadecanoate | 5-Bromo-4-chloro-1H-indol-3-yl palmitate | A875076 | 5-Bromo-4-chloro-3-indoxyl palmitate | B-7414 | MFCD00798390 | DTXSID00370038 | AMY41427 | X-pal

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

5-Bromo-4-chloro-3-indoxyl palmitate, or X-pal, is employed as a chromogenic substrate for carboxylesterase. X-pal produces a blue precipitate when cleaved.

Specifications

Synonyms

5-bromo-4-chloro-1H-indol-3-yl hexadecanoate | FD10402 | (5-bromo-4-chloro-1H-indol-3-yl) Hexadecanoate | 5-Bromo-4-chloro-1H-indol-3-yl palmitate | A875076 | 5-Bromo-4-chloro-3-indoxyl palmitate | B-7414 | MFCD00798390 | DTXSID00370038 | AMY41427 | X-pal

Specifications & Purity

≥98%

Storage

Protected from light, Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CCCCCCCCCCCCCCCC(=O)OC1=CNC2=C1C(=C(C=C2)Br)Cl
• IUPAC Name: (5-bromo-4-chloro-1H-indol-3-yl) hexadecanoate
• InChIKey: FREDWHLFBOAXBQ-UHFFFAOYSA-N
• INCHI: 1S/C24H35BrClNO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22(28)29-21-18-27-20-17-16-19(25)24(26)23(20)21/h16-18,27H,2-15H2,1H3
• Isomeric SMILES: CCCCCCCCCCCCCCCC(=O)OC1=CNC2=C1C(=C(C=C2)Br)Cl
• PubChem CID: 2733918
• Molecular Weight: 484.9

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Indoles and derivatives
      • Subclass Indoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Indoles and derivatives
• Subclass: Indoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Indoles
• Alternative Parents: Fatty acid esters Substituted pyrroles Aryl bromides Aryl chlorides Benzenoids Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Carbonyl compounds Organobromides Organochlorides Organonitrogen compounds Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indole - Fatty acid ester - Aryl bromide - Aryl chloride - Aryl halide - Fatty acyl - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Monocarboxylic acid or derivatives - Organobromide - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as indoles. These are compounds containing an indole moiety, which consists of pyrrole ring fused to benzene to form 2,3-benzopyrrole.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: 5% in chloroform
• Sensitivity: Light sensitive
• Refractive Index: 1.55
• Melt Point(°C): 53-57° C
• Molecular Weight: 484.900 g/mol
• XLogP3: 10.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 16
• Exact Mass: 483.154 Da
• Monoisotopic Mass: 483.154 Da
• Topological Polar Surface Area: 42.100 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 451.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1