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2-Amino-3-(5-fluoro-1H-indol-3-yl)propanoic acid - ≥95%, high purity , CAS No.154-08-5

COA

Grade & Purity:

≥95%

Cas Number: 154-08-5
Molecular Weight: 222.22
Beilstein Registry Number: 22753
MDL number: MFCD00005649
PubChem CID: 9577

In stock

Item Number

A769198

Grouped product items
SKU	Size	Availability	Price
A769198-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$116.90
A769198-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$182.90
A769198-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$416.90

Basic Description

Specifications & Purity	≥95%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Indoles and derivatives
Subclass	Indolyl carboxylic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Indolyl carboxylic acids and derivatives
Alternative Parents	3-alkylindoles Alpha amino acids Aralkylamines Substituted pyrroles Aryl fluorides Benzenoids Heteroaromatic compounds Amino acids Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Organofluorides Monoalkylamines Organopnictogen compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Indolyl carboxylic acid derivative - Alpha-amino acid - Alpha-amino acid or derivatives - 3-alkylindole - Indole - Aralkylamine - Aryl fluoride - Aryl halide - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Amino acid or derivatives - Amino acid - Carboxylic acid derivative - Carboxylic acid - Azacycle - Monocarboxylic acid or derivatives - Organopnictogen compound - Primary aliphatic amine - Primary amine - Amine - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as indolyl carboxylic acids and derivatives. These are compounds containing a carboxylic acid chain (of at least 2 carbon atoms) linked to an indole ring.
External Descriptors	organofluorine compound - non-proteinogenic alpha-amino acid - tryptophan derivative
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	2-amino-3-(5-fluoro-1H-indol-3-yl)propanoic acid
INCHI	InChI=1S/C11H11FN2O2/c12-7-1-2-10-8(4-7)6(5-14-10)3-9(13)11(15)16/h1-2,4-5,9,14H,3,13H2,(H,15,16)
InChIKey	INPQIVHQSQUEAJ-UHFFFAOYSA-N
Smiles	C1=CC2=C(C=C1F)C(=CN2)CC(C(=O)O)N
Isomeric SMILES	C1=CC2=C(C=C1F)C(=CN2)CC(C(=O)O)N
WGK Germany	3
RTECS	YN6825000
PubChem CID	9577
Molecular Weight	222.22
Beilstein	22753

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	222.220 g/mol
XLogP3	-0.700
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	222.08 Da
Monoisotopic Mass	222.08 Da
Topological Polar Surface Area	79.100 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	275.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
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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