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N-[6-Chloro-5-(2-methoxyphenoxy)[2，2'-bipyrimidin]-4-yl]-4-(1，1-dimethylethyl)benzenesulfonamide potassium salt - ≥98%, high purity , CAS No.301646-59-3

COA

Grade & Purity:

≥98%

Cas Number: 301646-59-3
Molecular Weight: 564.11
PubChem CID: 44128752

In stock

Item Number

N732040

Grouped product items
SKU	Size	Availability	Price	Qty
N732040-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$42.90
N732040-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$75.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Diazines
    - Subclass Pyrimidines and pyrimidine derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Diazines
Subclass	Pyrimidines and pyrimidine derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Bipyrimidines and oligopyrimidines
Alternative Parents	Diarylethers Benzenesulfonamides Phenylpropanes Benzenesulfonyl compounds Anisoles Phenoxy compounds Methoxybenzenes Halopyrimidines Alkyl aryl ethers Aryl chlorides Heteroaromatic compounds Organosulfonic acids and derivatives Sulfonyls Organic metal halides Azacyclic compounds Organic potassium salts Organic oxides Hydrocarbon derivatives Organic zwitterions Organochlorides Organonitrogen compounds
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Bipyrimidine - Diaryl ether - Benzenesulfonamide - Phenylpropane - Benzenesulfonyl group - Phenol ether - Phenoxy compound - Anisole - Methoxybenzene - Halopyrimidine - Alkyl aryl ether - Benzenoid - Aryl chloride - Monocyclic benzene moiety - Aryl halide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Heteroaromatic compound - Organic metal halide - Azacycle - Organic alkali metal salt - Ether - Organochloride - Organohalogen compound - Organic salt - Organic nitrogen compound - Organic potassium salt - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic zwitterion - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as bipyrimidines and oligopyrimidines. These are organic compounds containing two or more pyrimidine rings directly linked to each other. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
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	potassium;(4-tert-butylphenyl)sulfonyl-[6-chloro-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]azanide
INCHI	InChI=1S/C25H23ClN5O4S.K/c1-25(2,3)16-10-12-17(13-11-16)36(32,33)31-22-20(35-19-9-6-5-8-18(19)34-4)21(26)29-24(30-22)23-27-14-7-15-28-23;/h5-15H,1-4H3;/q-1;+1
InChIKey	AKVKGLFONGGDDC-UHFFFAOYSA-N
Smiles	CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)[N-]C2=C(C(=NC(=N2)C3=NC=CC=N3)Cl)OC4=CC=CC=C4OC.[K+]
Isomeric SMILES	CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)[N-]C2=C(C(=NC(=N2)C3=NC=CC=N3)Cl)OC4=CC=CC=C4OC.[K+]
PubChem CID	44128752
Molecular Weight	564.11

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	564.100 g/mol
XLogP3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	8
Exact Mass	563.08 Da
Monoisotopic Mass	563.08 Da
Topological Polar Surface Area	114.000 Å²
Heavy Atom Count	37
Formal Charge	0
Complexity	800.000
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	2

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