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5-Bromo-N-((4，6-dimethyl-2-oxo-1，2-dihydropyridin-3-yl)methyl)-3-(ethyl(tetrahydro-2H-pyran-4-yl)amino)-2-methylbenzamide - ≥95%, high purity , CAS No.1403257-80-6

COA

Grade & Purity:

≥95%

Cas Number: 1403257-80-6
MDL number: MFCD28167870
PubChem CID: 66576790

In stock

Item Number

B769161

Grouped product items
SKU	Size	Availability	Price	Qty
B769161-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$214.90
B769161-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$325.90

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 Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzoic acids and derivatives
      - Level5 Aminobenzoic acids and derivatives
        Level6 Aminobenzamides

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Aminobenzoic acids and derivatives
Direct Parent	Aminobenzamides
Alternative Parents	3-halobenzoic acids and derivatives o-Toluamides Benzamides Benzoyl derivatives Dialkylarylamines Aniline and substituted anilines Aminotoluenes Methylpyridines Bromobenzenes Dihydropyridines Pyridinones Aryl bromides Oxanes Heteroaromatic compounds Lactams Secondary carboxylic acid amides Amino acids and derivatives Oxacyclic compounds Dialkyl ethers Azacyclic compounds Hydrocarbon derivatives Organobromides Organic oxides
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Aminobenzamide - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Benzamide - O-toluamide - Toluamide - Benzoyl - Aminotoluene - Aniline or substituted anilines - Dialkylarylamine - Methylpyridine - Bromobenzene - Dihydropyridine - Halobenzene - Pyridinone - Toluene - Aryl bromide - Aryl halide - Hydropyridine - Oxane - Pyridine - Heteroaromatic compound - Tertiary amine - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Lactam - Oxacycle - Ether - Dialkyl ether - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as aminobenzamides. These are organic compounds containing a benzamide moiety with an amine group attached to the benzene ring.
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	5-bromo-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methylbenzamide
INCHI	InChI=1S/C23H30BrN3O3/c1-5-27(18-6-8-30-9-7-18)21-12-17(24)11-19(16(21)4)22(28)25-13-20-14(2)10-15(3)26-23(20)29/h10-12,18H,5-9,13H2,1-4H3,(H,25,28)(H,26,29)
InChIKey	FADJTYGNEWCCFM-UHFFFAOYSA-N
Smiles	CCN(C1CCOCC1)C2=CC(=CC(=C2C)C(=O)NCC3=C(C=C(NC3=O)C)C)Br
Isomeric SMILES	CCN(C1CCOCC1)C2=CC(=CC(=C2C)C(=O)NCC3=C(C=C(NC3=O)C)C)Br
PubChem CID	66576790

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	476.400 g/mol
XLogP3	3.800
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	475.147 Da
Monoisotopic Mass	475.147 Da
Topological Polar Surface Area	70.700 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	714.000
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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