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HPA (Hexyl-4-pentynoic acid)

CAT: 0013-GTR19174146-02Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19174146-02Size:100 mg
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Description
2-Hexyl-4-pentynoic acid is a valproic acid derivative functioning as a potent HDAC inhibitor, exhibiting an IC50 of 13 μM. This small molecule is utilized in epigenetic research for studying histone deacetylation in both cellular and biochemical assays.
CAS Number
96017-59-3
Product Name Alternative
HPA
Field of Research
Epigenetics & Chromatin
Purity
>98%
Bioactivity
HDAC inhibitor
Form
Oil
Solubility
Soluble in DMSO (up to 25 mg/ml) or in Ethanol (up to 25 mg/ml) .
Smiles
CCCCCCC (CC#C) C (O) =O
Molecular Formula
C11H18O2
Molecular Weight
182.27
Storage Conditions
RT
Notes
For research use only.
Other Product Names
2- (2-Propynyl) octanoic acid (racemic)

Chemical Information

2-Hexyl-4-pentynoic Acid

has hepatoprotective activity; structure in first source

CAS Number96017-59-3
PubChem CID175664
IUPAC Name2-prop-2-ynyloctanoic acid
Molecular FormulaC11H18O2
Molecular Weight182.26
XLogP3.4
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Heavy Atom Count13
Formal Charge0
Complexity188
SMILES
CCCCCCC(CC#C)C(=O)O
InChI
InChI=1S/C11H18O2/c1-3-5-6-7-9-10(8-4-2)11(12)13/h2,10H,3,5-9H2,1H3,(H,12,13)
InChIKey
DUQSBRQHALCSLC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Hexyl-4-pentynoic Acid
CAS: 96017-59-3
CID: 175664
Formula: C11H18O2
MW: 182.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight182.26
XLogP33.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Exact Mass182.130679813
Monoisotopic Mass182.130679813
Topological Polar Surface Area37.3 Ų
Heavy Atom Count13
Formal Charge0
Complexity188
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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