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Membrane Transporter/Ion Channel
CRAC Channel
4-(3,5-Bis(trifluoromethyl)-1h-pyrazol-1-yl)phenylamine - 95%, high purity , CAS No.123066-64-8

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4-(3,5-Bis(trifluoromethyl)-1h-pyrazol-1-yl)phenylamine - 95%, high purity , CAS No.123066-64-8

COA

Grade & Purity:

≥95%

Cas Number: 123066-64-8
Molecular Weight: 295.2
PubChem CID: 2740668

In stock

Item Number

B180474

Grouped product items
SKU	Size	Availability	Price
B180474-100mg	100mg	3	$95.90
B180474-250mg	250mg	2	$119.90
B180474-1g	1g	1	$319.90

View related series

CRAC Channel (18) Ion channel (2197) Membrane Transporter/Ion Channel (1822)

Basic Description

Synonyms	A890856 \| C11H7F6N3 \| MLS000860231 \| GS-4357 \| 4-[3,5-bis(trifluoromethyl)-1H-pyrazol-1-yl]aniline \| Benzenamine, 4-[3,5-bis(trifluoromethyl)-1H-pyrazol-1-yl]- \| SMR000461010 \| 4-(3,5-bis-(Trifluoromethyl)-1H-pyrazol-1-yl)phenylamine \| 4-(3,5-Bis(trifluor
Specifications & Purity	≥95%
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	CRAC intermediate 2 is a intermediate compound for CRAC inhibitor synthesis.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Azoles
    - Subclass Pyrazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Azoles
Subclass	Pyrazoles
Intermediate Tree Nodes	Not available
Direct Parent	Phenylpyrazoles
Alternative Parents	Aniline and substituted anilines Heteroaromatic compounds Azacyclic compounds Primary amines Organopnictogen compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Phenylpyrazole - Aniline or substituted anilines - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Azacycle - Organopnictogen compound - Alkyl halide - Primary amine - Organic nitrogen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl fluoride - Amine - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylpyrazoles. These are compounds containing a phenylpyrazole skeleton, which consists of a pyrazole bound to a phenyl group.
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

Associated Targets(non-human)

Plasmodium falciparum (966862 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]aniline
INCHI	InChI=1S/C11H7F6N3/c12-10(13,14)8-5-9(11(15,16)17)20(19-8)7-3-1-6(18)2-4-7/h1-5H,18H2
InChIKey	XOXBUERZFCPKDR-UHFFFAOYSA-N
Smiles	C1=CC(=CC=C1N)N2C(=CC(=N2)C(F)(F)F)C(F)(F)F
Isomeric SMILES	C1=CC(=CC=C1N)N2C(=CC(=N2)C(F)(F)F)C(F)(F)F
Molecular Weight	295.2
Reaxy-Rn	8704993
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8704993&ln=

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

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

Analytical Chart:

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8 results found

Lot Number	Certificate Type	Date	Item
I2412200	Certificate of Analysis	Jun 24, 2024	B180474
I2412226	Certificate of Analysis	Jun 24, 2024	B180474
I2412227	Certificate of Analysis	Jun 24, 2024	B180474
H2428181	Certificate of Analysis	May 17, 2024	B180474
H2428182	Certificate of Analysis	May 17, 2024	B180474
H2428183	Certificate of Analysis	May 17, 2024	B180474
H2428184	Certificate of Analysis	May 17, 2024	B180474
H2428185	Certificate of Analysis	May 17, 2024	B180474

Chemical and Physical Properties

Solubility	DMSO: 50 mg/mL (169.38 mM)
Sensitivity	Moisture sensitive
Molecular Weight	295.180 g/mol
XLogP3	3.100
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	1
Exact Mass	295.054 Da
Monoisotopic Mass	295.054 Da
Topological Polar Surface Area	43.800 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	334.000
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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