Skip to the beginning of the images gallery

2-(1-(tert-butoxycarbonyl)-1H-indol-3-yl)acetic acid - ≥95%, high purity , CAS No.128550-08-3

COA

Grade & Purity:

≥95%

Cas Number: 128550-08-3
Molecular Weight: 275.3
PubChem CID: 10934666

In stock

Item Number

H725252

Grouped product items
SKU	Size	Availability	Price
H725252-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$780.90
H725252-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,300.90
H725252-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,600.90

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	Indole-3-acetic acid derivatives
Alternative Parents	Indolecarboxylic acids 3-alkylindoles Pyrrole carboxylic acids and derivatives Substituted pyrroles Benzenoids Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Indole-3-acetic acid derivative - Indolecarboxylic acid - Indolecarboxylic acid derivative - 3-alkylindole - Indole - Pyrrole-1-carboxylic acid or derivatives - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as indole-3-acetic acid derivatives. These are compounds containing an acetic acid (or a derivative) linked to the C3 carbon atom of 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	2-[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]acetic acid
INCHI	InChI=1S/C15H17NO4/c1-15(2,3)20-14(19)16-9-10(8-13(17)18)11-6-4-5-7-12(11)16/h4-7,9H,8H2,1-3H3,(H,17,18)
InChIKey	VRZTWLIBIMXVMR-UHFFFAOYSA-N
Smiles	CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)CC(=O)O
Isomeric SMILES	CC(C)(C)OC(=O)N1C=C(C2=CC=CC=C21)CC(=O)O
PubChem CID	10934666
Molecular Weight	275.3

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	275.300 g/mol
XLogP3	2.700
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	275.116 Da
Monoisotopic Mass	275.116 Da
Topological Polar Surface Area	68.500 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	388.000
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

Solution Calculators

Molarity Calculator

Determine the necessary mass, volume, or concentration for preparing a solution.

Mass

Concentration

Volume

M. Wt*

g/mol

*When preparing stock solutions, always use the batch-specific molecular weight of the product found on the vial label and the Certificate of Analysis (available online).

Dilution Calculator

Determine the dilution needed to prepare a stock solution.

Concentration 1 (C1)

Volume 1 (V1)

Concentration 2 (C2)

Volume 2 (V2)

Reconstitution Calculator

The reconstitution calculator enables you to quickly determine the volume of a reagent needed to reconstitute your vial. Just enter the mass of the reagent and the target concentration, and the calculator will do the rest.

Volume (to add to vial)

Mass (in vial)

Desired Reconstitution Concentration

2-(1-(tert-butoxycarbonyl)-1H-indol-3-yl)acetic acid - ≥95%, high purity , CAS No.128550-08-3

Basic Description