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SCH900776 S-isomer - ≥95%, high purity , CAS No.891494-64-7

COA

Grade & Purity:

≥95%

Cas Number: 891494-64-7
Molecular Weight: 376.25
PubChem CID: 46239014

In stock

Item Number

S732677

Grouped product items
SKU	Size	Availability	Price	Qty
S732677-2mg	2mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$247.90
S732677-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$370.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyrazolopyrimidines
    - Subclass Pyrazolo[1,5-a]pyrimidines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyrazolopyrimidines
Subclass	Pyrazolo[1,5-a]pyrimidines
Intermediate Tree Nodes	Not available
Direct Parent	Pyrazolo[1,5-a]pyrimidines
Alternative Parents	Halopyrimidines Aralkylamines Aminopyrimidines and derivatives Piperidines Aryl bromides Pyrazoles Heteroaromatic compounds Dialkylamines Azacyclic compounds Primary amines Organobromides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Pyrazolo[1,5-a]pyrimidine - Aminopyrimidine - Halopyrimidine - Aralkylamine - Aryl bromide - Aryl halide - Piperidine - Pyrimidine - Pyrazole - Azole - Heteroaromatic compound - Secondary aliphatic amine - Secondary amine - Azacycle - Primary amine - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as pyrazolo[1,5-a]pyrimidines. These are aromatic heterocyclic compounds containing a pyrazolo[3,4-d]pyrimidine ring system, which consists of a pyrazole ring fused to and sharing exactly one 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	6-bromo-3-(1-methylpyrazol-4-yl)-5-[(3S)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidin-7-amine
INCHI	InChI=1S/C15H18BrN7/c1-22-8-10(6-19-22)11-7-20-23-14(17)12(16)13(21-15(11)23)9-3-2-4-18-5-9/h6-9,18H,2-5,17H2,1H3/t9-/m0/s1
InChIKey	GMIZZEXBPRLVIV-VIFPVBQESA-N
Smiles	CN1C=C(C=N1)C2=C3N=C(C(=C(N3N=C2)N)Br)C4CCCNC4
Isomeric SMILES	CN1C=C(C=N1)C2=C3N=C(C(=C(N3N=C2)N)Br)[C@H]4CCCNC4
PubChem CID	46239014
Molecular Weight	376.25

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	376.250 g/mol
XLogP3	0.800
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	375.081 Da
Monoisotopic Mass	375.081 Da
Topological Polar Surface Area	86.100 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	425.000
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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