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SA 152

CAT: 0013-GTR19209151-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19209151-01Size:25 mg
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Description
SA 152 is a small molecule organophosphorus inhibitor used in biochemical research. It serves as a tool compound for studying enzyme inhibition mechanisms in vitro and has been applied in pharmacological models investigating cholinesterase-related pathways.
CAS Number
142450-99-5
Field of Research
Protein Biochemistry
Smiles
C (P (=O) (C1=CC=CC=C1) C2=CC=CC=C2) (NC (C (C (F) (F) F) C (F) (F) F) =O) (C (F) (F) F) C (F) (F) F
Molecular Formula
C19H12F12NO2P
Molecular Weight
545.26
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-(1-(Diphenylphosphoryl)-2,2,2-trifluoro-1-(trifluoromethyl)ethyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CAS Number142450-99-5
PubChem CID382505
IUPAC NameN-(2-diphenylphosphoryl-1,1,1,3,3,3-hexafluoropropan-2-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
Molecular FormulaC19H12F12NO2P
Molecular Weight545.3
XLogP6.2
Topological Polar Surface Area46.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count14
Rotatable Bond Count5
Heavy Atom Count35
Formal Charge0
Complexity740
SMILES
C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)C(C(F)(F)F)(C(F)(F)F)NC(=O)C(C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C19H12F12NO2P/c20-15(21,22)13(16(23,24)25)14(33)32-17(18(26,27)28,19(29,30)31)35(34,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,(H,32,33)
InChIKey
BTDQBMHUARPTSB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(1-(Diphenylphosphoryl)-2,2,2-trifluoro-1-(trifluoromethyl)ethyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CAS: 142450-99-5
CID: 382505
Formula: C19H12F12NO2P
MW: 545.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight545.3
XLogP36.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count14
Rotatable Bond Count5
Exact Mass545.0414036
Monoisotopic Mass545.0414036
Topological Polar Surface Area46.2 Ų
Heavy Atom Count35
Formal Charge0
Complexity740
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

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