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Lp-PLA2-IN-5

CAT: 0013-GTR19185314-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19185314-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Lp-PLA2-IN-5
CAS Number
2738877-85-3
Field of Research
Metabolism Research
Smiles
O=C1N2C (N3C[C@@] (C2) (OCC3) [H]) =CC (OCC4=CC (F) =C (OC5=CC (C (F) (F) F) =CC=C5) C (F) =C4) =N1
Molecular Formula
C23H18F5N3O4
Molecular Weight
495.4
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Lp-PLA2-IN-5
CAS Number2738877-85-3
PubChem CID163196265
IUPAC Name(9S)-4-[[3,5-difluoro-4-[3-(trifluoromethyl)phenoxy]phenyl]methoxy]-10-oxa-1,5,7-triazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
Molecular FormulaC23H18F5N3O4
Molecular Weight495.4
XLogP3.8
Topological Polar Surface Area63.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Heavy Atom Count35
Formal Charge0
Complexity857
SMILES
C1CO[C@H]2CN1C3=CC(=NC(=O)N3C2)OCC4=CC(=C(C(=C4)F)OC5=CC=CC(=C5)C(F)(F)F)F
InChI
InChI=1S/C23H18F5N3O4/c24-17-6-13(7-18(25)21(17)35-15-3-1-2-14(8-15)23(26,27)28)12-34-19-9-20-30-4-5-33-16(10-30)11-31(20)22(32)29-19/h1-3,6-9,16H,4-5,10-12H2/t16-/m0/s1
InChIKey
WQTLAEMFJNYZHB-INIZCTEOSA-N
Chemical Structure
2D Structure
2D structure of Lp-PLA2-IN-5
CAS: 2738877-85-3
CID: 163196265
Formula: C23H18F5N3O4
MW: 495.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight495.4
XLogP33.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Exact Mass495.12174687
Monoisotopic Mass495.12174687
Topological Polar Surface Area63.6 Ų
Heavy Atom Count35
Formal Charge0
Complexity857
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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