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3-Bromo-1-(tert-butyl)-1H-pyrazolo[3，4-d]pyrimidin-4-amine - ≥98%, high purity , CAS No.862728-61-8

COA

Grade & Purity:

≥98%

Cas Number: 862728-61-8
Molecular Weight: 270.13
PubChem CID: 58597145

In stock

Item Number

B734351

Grouped product items
SKU	Size	Availability	Price
B734351-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$447.90
B734351-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,169.90
B734351-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,190.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyrazolopyrimidines
    - Subclass Pyrazolo[3,4-d]pyrimidines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyrazolopyrimidines
Subclass	Pyrazolo[3,4-d]pyrimidines
Intermediate Tree Nodes	Not available
Direct Parent	Pyrazolo[3,4-d]pyrimidines
Alternative Parents	Aminopyrimidines and derivatives Imidolactams Aryl bromides Pyrazoles Heteroaromatic compounds Azacyclic compounds Primary amines Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Pyrazolo[3,4-d]pyrimidine - Aminopyrimidine - Aryl bromide - Aryl halide - Imidolactam - Pyrimidine - Heteroaromatic compound - Pyrazole - Azole - Azacycle - Organobromide - Organohalogen compound - Primary amine - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as pyrazolo[3,4-d]pyrimidines. These are aromatic heterocyclic compounds containing a pyrazolo[3,4-d]pyrimidine ring system, which consists of a pyrazole ring fused to but and not sharing a nitrogen atom with a pyrimidine 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	3-bromo-1-tert-butylpyrazolo[3,4-d]pyrimidin-4-amine
INCHI	InChI=1S/C9H12BrN5/c1-9(2,3)15-8-5(6(10)14-15)7(11)12-4-13-8/h4H,1-3H3,(H2,11,12,13)
InChIKey	SOSYGGKAIVNKLX-UHFFFAOYSA-N
Smiles	CC(C)(C)N1C2=NC=NC(=C2C(=N1)Br)N
Isomeric SMILES	CC(C)(C)N1C2=NC=NC(=C2C(=N1)Br)N
PubChem CID	58597145
Molecular Weight	270.13

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	270.130 g/mol
XLogP3	1.800
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	269.028 Da
Monoisotopic Mass	269.028 Da
Topological Polar Surface Area	69.600 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	241.000
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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