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Compound W

CAT: 1410-M23782-01Size: 1 EachDry Ice: NoHazardous: No
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Description
The compound is an inhibitor of γ-secretase. It also causes a decrease in the released levels of Aβ42 and notch-1 Aβ-like peptide 25 (Nβ25) .
CAS Number
173550-33-9
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
396.31
Molecular Formula
C19H12N2O8
Notes
Research use only, not for human use.
Receptor
Γ secretase

Chemical Information

3,5-Bis(4-nitrophenoxy)benzoic acid

3,5-bis(4-nitrophenoxy)benzoic acid is an aromatic ether.

CAS Number173550-33-9
PubChem CID16760376
IUPAC Name3,5-bis(4-nitrophenoxy)benzoic acid
Molecular FormulaC19H12N2O8
Molecular Weight396.3
XLogP4.2
Topological Polar Surface Area147
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count29
Formal Charge0
Complexity544
SMILES
C1=CC(=CC=C1[N+](=O)[O-])OC2=CC(=CC(=C2)C(=O)O)OC3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C19H12N2O8/c22-19(23)12-9-17(28-15-5-1-13(2-6-15)20(24)25)11-18(10-12)29-16-7-3-14(4-8-16)21(26)27/h1-11H,(H,22,23)
InChIKey
JOSXKPZXMVHRKU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3,5-Bis(4-nitrophenoxy)benzoic acid
CAS: 173550-33-9
CID: 16760376
Formula: C19H12N2O8
MW: 396.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight396.3
XLogP34.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass396.05936535
Monoisotopic Mass396.05936535
Topological Polar Surface Area147 Ų
Heavy Atom Count29
Formal Charge0
Complexity544
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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