Skip to the beginning of the images gallery

2-(3-Chlorobenzamido)-3-(2-oxo-1,2-dihydroquinolin-4-yl)propanoic acid - 98%, high purity , CAS No.90098-05-8

COA

Grade & Purity:

≥98%

Cas Number: 90098-05-8
Molecular Weight: 370.79
PubChem CID: 13342114

In stock

Item Number

C590638

Grouped product items
SKU	Size	Availability	Price
C590638-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$89.90
C590638-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$109.90
C590638-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$319.90

View related series

chlorides (48) Chlorobenzamide (1) quinolines (133)

Basic Description

Synonyms	α-[(3-Chlorobenzoyl)amino]-1,2-dihydro-2-oxo-4-quinolineprop \| Rebamipide 3-Chloro Impurity
Specifications & Purity	≥98%
Storage Temp	Store at 2-8°C,Argon charged
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 Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzoic acids and derivatives
      - Level5 Benzamides
        Level6 Hippuric acids and derivatives
        Level7 Hippuric acids

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Benzamides - Hippuric acids and derivatives
Direct Parent	Hippuric acids
Alternative Parents	N-acyl-alpha amino acids Hydroquinolones 3-halobenzoic acids and derivatives Hydroquinolines Benzoyl derivatives Pyridinones Chlorobenzenes Aryl chlorides Heteroaromatic compounds Lactams Secondary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organochlorides Organonitrogen compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - Hippuric acid - Dihydroquinolone - Alpha-amino acid or derivatives - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Quinoline - Dihydroquinoline - Benzoyl - Chlorobenzene - Halobenzene - Pyridinone - Aryl chloride - Pyridine - Aryl halide - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Lactam - Organoheterocyclic compound - Azacycle - Carboxylic acid - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organochloride - Organohalogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as hippuric acids. These are compounds containing hippuric acid, which consists of a of a benzoyl group linked to the N-terminal of a glycine.
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-[(3-chlorobenzoyl)amino]-3-(2-oxo-1H-quinolin-4-yl)propanoic acid
INCHI	InChI=1S/C19H15ClN2O4/c20-13-5-3-4-11(8-13)18(24)22-16(19(25)26)9-12-10-17(23)21-15-7-2-1-6-14(12)15/h1-8,10,16H,9H2,(H,21,23)(H,22,24)(H,25,26)
InChIKey	BDWGQNMAAZVUQH-UHFFFAOYSA-N
Smiles	C1=CC=C2C(=C1)C(=CC(=O)N2)CC(C(=O)O)NC(=O)C3=CC(=CC=C3)Cl
Isomeric SMILES	C1=CC=C2C(=C1)C(=CC(=O)N2)CC(C(=O)O)NC(=O)C3=CC(=CC=C3)Cl
Molecular Weight	370.79
Reaxy-Rn	5632408
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5632408&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	370.800 g/mol
XLogP3	2.400
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	370.072 Da
Monoisotopic Mass	370.072 Da
Topological Polar Surface Area	95.500 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	606.000
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

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