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1-methyl-3-[[5-[(2S)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]-2-pyridyl]amino]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one - 97%, high purity , CAS No.1433849-83-2

COA

Grade & Purity:

≥97%

Cas Number: 1433849-83-2
Molecular Weight: 481.39
PubChem CID: 86683701

In stock

Item Number

M629192

Grouped product items
SKU	Size	Availability	Price
M629192-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$327.90
M629192-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$523.90
M629192-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$872.90
M629192-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,571.90

Basic Description

Synonyms	1433849-83-2 \| 1-methyl-3-[[5-[(2S)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]-2-pyridyl]amino]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one \| (S)-1-Methyl-3-((5-(2-methyl-4-(oxetan-3-yl)piperazin-1-yl)pyridin-2-yl)amino)-5-(4,4,5,5-tetrameth
Specifications & Purity	≥97%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Diazinanes
    - Subclass Piperazines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Diazinanes
Subclass	Piperazines
Intermediate Tree Nodes	Not available
Direct Parent	Pyridinylpiperazines
Alternative Parents	N-arylpiperazines Dialkylarylamines Aminopyridines and derivatives Pyridinones Dihydropyridines N-alkylpiperazines Imidolactams Boronic acid esters Dioxaborolanes Heteroaromatic compounds Trialkylamines Oxetanes Lactams Oxacyclic compounds Dialkyl ethers Organic metalloid salts Azacyclic compounds Organic oxides Organometalloid compounds Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Pyridinylpiperazine - N-arylpiperazine - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aminopyridine - Dihydropyridine - Pyridinone - N-alkylpiperazine - Imidolactam - Pyridine - Hydropyridine - Heteroaromatic compound - Boronic acid ester - 1,3,2-dioxaborolane - Boronic acid derivative - Tertiary aliphatic amine - Tertiary amine - Oxetane - Lactam - Oxacycle - Azacycle - Organic metalloid salt - Dialkyl ether - Ether - Hydrocarbon derivative - Organic metalloid moeity - Organonitrogen compound - Amine - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as pyridinylpiperazines. These are compounds containing a pyridinylpiperazine skeleton, which consists of a pyridine linked (not fused) to a piperazine by a bond by a single bond that is not part of a 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	1-methyl-3-[[5-[(2S)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]pyridin-2-yl]amino]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-one
INCHI	InChI=1S/C25H36BN5O4/c1-17-13-30(20-15-33-16-20)9-10-31(17)19-7-8-22(27-12-19)28-21-11-18(14-29(6)23(21)32)26-34-24(2,3)25(4,5)35-26/h7-8,11-12,14,17,20H,9-10,13,15-16H2,1-6H3,(H,27,28)/t17-/m0/s1
InChIKey	QPSOCEWAIBSJLT-KRWDZBQOSA-N
Smiles	B1(OC(C(O1)(C)C)(C)C)C2=CN(C(=O)C(=C2)NC3=NC=C(C=C3)N4CCN(CC4C)C5COC5)C
Isomeric SMILES	B1(OC(C(O1)(C)C)(C)C)C2=CN(C(=O)C(=C2)NC3=NC=C(C=C3)N4CCN(C[C@@H]4C)C5COC5)C
PubChem CID	86683701
Molecular Weight	481.39

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	481.400 g/mol
XLogP3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	5
Exact Mass	481.286 Da
Monoisotopic Mass	481.286 Da
Topological Polar Surface Area	79.400 Å²
Heavy Atom Count	35
Formal Charge	0
Complexity	873.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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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