10517-21-2 | 5-Chloroindole-2-carboxylic acid

Packsize	Purity	Availability	Price	Discounted Price
1g	95%	in stock	$5.00	$4.00
5g	97%	in stock	$20.00	$14.00
10g	97%	in stock	$39.00	$28.00
25g	95%	in stock	$42.00	$30.00
100g	95%	in stock	$167.00	$117.00

Description

• Catalog Number: AB51427
• Chemical Name: 5-Chloroindole-2-carboxylic acid
• CAS Number: 10517-21-2
• Molecular Formula: C9H6ClNO2
• Molecular Weight: 195.6024
• MDL Number: MFCD00005613
• SMILES: Clc1ccc2c(c1)cc([nH]2)C(=O)O
• NSC Number: 75651

Computed Properties

• Complexity: 222
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 13
• Hydrogen Bond Acceptor Count: 2
• Hydrogen Bond Donor Count: 2
• Rotatable Bond Count: 1
• XLogP3: 2.9

Upstream Synthesis Route

Utilizing 5-Chloroindole-2-carboxylic acid in chemical synthesis offers a versatile approach to the creation of novel compounds with diverse applications. This compound serves as a key building block in the production of pharmaceuticals, agrochemicals, and functional materials due to its unique structural properties and reactivity. Its strategic incorporation into synthetic routes enables the synthesis of complex molecules with targeted biological activities. By leveraging the regioselectivity and functional group compatibility of 5-Chloroindole-2-carboxylic acid, chemists can access a wide array of derivatives through efficient transformations such as acylation, alkylation, and cross-coupling reactions. This compound plays a crucial role in the development of innovative compounds for various industries, showcasing its significance in advancing chemical synthesis methodologies.

Literature

• Microsphere-based protease assays and screening application for lethal factor and factor Xa.

  Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

• Non-peptidic small-molecule inhibitors of the single-chain hepatitis C virus NS3 protease/NS4A cofactor complex discovered by structure-based NMR screening.

  Journal of medicinal chemistry 20040506