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AES-350

CAT: 1410-M24840-01Size: 1 EachDry Ice: NoHazardous: No
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Description
AES-350 is a potent and orally active HDAC6 inhibitor (IC50 and a Ki of 0.0244 μM and 0.035 μM, respectively) .
CAS Number
847249-57-4
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
312.36
Molecular Formula
C18H20N2O3
Notes
Research use only, not for human use.
Receptor
HDAC11|HDAC3|HDAC6

Chemical Information

Tert-butylbenzamido hydroxylbenzamide
CAS Number847249-57-4
PubChem CID11688197
IUPAC Name4-tert-butyl-N-[4-(hydroxycarbamoyl)phenyl]benzamide
Molecular FormulaC18H20N2O3
Molecular Weight312.4
XLogP3.2
Topological Polar Surface Area78.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count23
Formal Charge0
Complexity414
SMILES
CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)NO
InChI
InChI=1S/C18H20N2O3/c1-18(2,3)14-8-4-12(5-9-14)16(21)19-15-10-6-13(7-11-15)17(22)20-23/h4-11,23H,1-3H3,(H,19,21)(H,20,22)
InChIKey
FMOQHLZNJFXULZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tert-butylbenzamido hydroxylbenzamide
CAS: 847249-57-4
CID: 11688197
Formula: C18H20N2O3
MW: 312.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight312.4
XLogP33.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass312.14739250
Monoisotopic Mass312.14739250
Topological Polar Surface Area78.4 Ų
Heavy Atom Count23
Formal Charge0
Complexity414
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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CatalogName
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