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5-fluoro PB-22 3-carboxyindole metabolite - ≥98%, high purity , CAS No.1432794-98-3

COA

Grade & Purity:

≥98%

Cas Number: 1432794-98-3
Molecular Weight: 249.29
PubChem CID: 86346291

In stock

Item Number

F769776

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SKU	Size	Availability	Price	Qty
F769776-1mg	1mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,095.90

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Class A GPCR (4138)

Basic Description

Specifications & Purity	≥98%
Storage Temp	Store at -20°C,Desiccated
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	5-fluoro PB-22 3-carboxyindole metabolite is an analytical reference material categorized as a synthetic cannabinoid metabolite.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Indoles and derivatives
    - Subclass Indolecarboxylic acids and derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Indoles and derivatives
Subclass	Indolecarboxylic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Indolecarboxylic acids and derivatives
Alternative Parents	N-alkylindoles Indoles Pyrrole carboxylic acids Substituted pyrroles Benzenoids Vinylogous amides Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Indolecarboxylic acid derivative - N-alkylindole - Indole - Pyrrole-3-carboxylic acid - Pyrrole-3-carboxylic acid or derivatives - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Vinylogous amide - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Alkyl fluoride - Alkyl halide - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as indolecarboxylic acids and derivatives. These are compounds containing a carboxylic acid group (or a derivative thereof) linked to an indole.
External Descriptors	Not available
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

Names and Identifiers

IUPAC Name	1-(5-fluoropentyl)indole-3-carboxylic acid
INCHI	InChI=1S/C14H16FNO2/c15-8-4-1-5-9-16-10-12(14(17)18)11-6-2-3-7-13(11)16/h2-3,6-7,10H,1,4-5,8-9H2,(H,17,18)
InChIKey	DYLIZXRQZRUDLA-UHFFFAOYSA-N
Smiles	C1=CC=C2C(=C1)C(=CN2CCCCCF)C(=O)O
Isomeric SMILES	C1=CC=C2C(=C1)C(=CN2CCCCCF)C(=O)O
PubChem CID	86346291
Molecular Weight	249.29

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	249.280 g/mol
XLogP3	2.900
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Exact Mass	249.117 Da
Monoisotopic Mass	249.117 Da
Topological Polar Surface Area	42.200 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	285.000
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

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