Products for Research Use Only
RegisterLogin

CRAC intermediate 2

CAT: 0013-GTR19216950-02Size: 5 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19216950-02Size:5 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
CRAC intermediate 2 is a intermediate compound for CRAC inhibitor synthesis. CRAC intermediate 2 has been extracted from patent WO 2013059666A1.
CAS Number
123066-64-8
Purity
>98% (HPLC)
Solubility
In Vitro: DMSO : ≥ 52 mg/mL (176.16 mM)
Smiles
Nc1ccc (cc1) -n1nc (cc1C (F) (F) F) C (F) (F) F
Molecular Formula
C11H7F6N3
Molecular Weight
295.188
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

4-(3,5-Bis(trifluoromethyl)-1H-pyrazol-1-yl)aniline
CAS Number123066-64-8
PubChem CID2740668
IUPAC Name4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]aniline
Molecular FormulaC11H7F6N3
Molecular Weight295.18
XLogP3.1
Topological Polar Surface Area43.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count1
Heavy Atom Count20
Formal Charge0
Complexity334
SMILES
C1=CC(=CC=C1N)N2C(=CC(=N2)C(F)(F)F)C(F)(F)F
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
Chemical Structure
2D Structure
2D structure of 4-(3,5-Bis(trifluoromethyl)-1H-pyrazol-1-yl)aniline
CAS: 123066-64-8
CID: 2740668
Formula: C11H7F6N3
MW: 295.18
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight295.18
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count1
Exact Mass295.05441621
Monoisotopic Mass295.05441621
Topological Polar Surface Area43.8 Ų
Heavy Atom Count20
Formal Charge0
Complexity334
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
GTR19176855-01CRAC intermediate 1
GTR19243782-01Dacomitinib Intermediate 2
GTR19237710-01Exatecan Intermediate 2
GTR19237699-01MMAF intermediate 2
GTR19234296-01SC209 intermediate-2
GTR19219679Sitagliptin Intermediate 2
GTR19219752-01Dacomitinib Intermediate 2
GTR19280516-01GS-1427 intermediate-2
GTR19267074-01Duocarmycin SA intermediate-2
GTR19237701-01Exatecan Intermediate 2 hydrochloride

Alternative Products

CatalogName
T10884-01CRAC intermediate 1
T10885-01CRAC intermediate 2
A13753-25CRAC intermediate 2 25mg
A13753-5CRAC intermediate 2 5mg
A20601-200CRAC intermediate 1 200mg
A20601-10CRAC intermediate 1 10mg
A20601-5CRAC intermediate 1 5mg
A13753-200CRAC intermediate 2 200mg
A20601-100CRAC intermediate 1 100mg
A13753-100CRAC intermediate 2 100mg

Popular Products