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SR1078

CAT: 0607-A3835-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-A3835-50Size:50 mg
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Description
Orphan receptor agonist
CAS Number
1246525-60-9
Product Name Alternative
N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-4-(trifluoromethyl)benzamide
Sequence
SR 1078;SR-1078
Field of Research
Tyrosine Kinase ROR
Purity
0.9865
Form
A solid
Solubility
insoluble in H2O; ≥43.2 mg/mL in DMSO; ≥43.4 mg/mL in EtOH
Smiles
C1=CC(=CC=C1C(=O)NC2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O)C(F)(F)F
Molecular Formula
C17H10F9NO2
Molecular Weight
431.25
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

N-(4-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)phenyl)-4-(trifluoromethyl)benzamide
CAS Number1246525-60-9
PubChem CID17980288
IUPAC NameN-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-4-(trifluoromethyl)benzamide
Molecular FormulaC17H10F9NO2
Molecular Weight431.25
XLogP4.8
Topological Polar Surface Area49.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count3
Heavy Atom Count29
Formal Charge0
Complexity555
SMILES
C1=CC(=CC=C1C(=O)NC2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O)C(F)(F)F
InChI
InChI=1S/C17H10F9NO2/c18-15(19,20)11-3-1-9(2-4-11)13(28)27-12-7-5-10(6-8-12)14(29,16(21,22)23)17(24,25)26/h1-8,29H,(H,27,28)
InChIKey
DUXWIYXHHGNUJU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(4-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)phenyl)-4-(trifluoromethyl)benzamide
CAS: 1246525-60-9
CID: 17980288
Formula: C17H10F9NO2
MW: 431.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight431.25
XLogP34.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count3
Exact Mass431.05678202
Monoisotopic Mass431.05678202
Topological Polar Surface Area49.3 Ų
Heavy Atom Count29
Formal Charge0
Complexity555
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

Alternative Products

CatalogName
S5775-5mgSR1078
A15245-50SR1078 50mg
A15245-1SR1078 1mg
A15245-10SR1078 10mg
A15245-2SR1078 2mg
A15245-100SR1078 100mg
A15245-25SR1078 25mg
A15245-5SR1078 5mg
TBI4066-50MGSR1078, ROR agonist
A15245-10mM-DSR1078 10mM * 1mL in DMSO

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