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BD-AcAc2

CAT: 0013-GTR19236385-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19236385-01Size:25 mg
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Description
BD-AcAc2 is an orally available small molecule that elevates blood ketone levels and has demonstrated anti-seizure effects in preclinical epilepsy models. Its associated weight-stabilizing properties make it a research tool for studying metabolic and neurological disorders.
CAS Number
58213-75-5
Smiles
O=C (OCCC (OC (=O) CC (=O) C) C) CC (=O) C
Molecular Formula
C12H18O6
Molecular Weight
258.27
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

BD-AcAc2
CAS Number58213-75-5
PubChem CID15712823
IUPAC Name3-(3-oxobutanoyloxy)butyl 3-oxobutanoate
Molecular FormulaC12H18O6
Molecular Weight258.27
XLogP0.5
Topological Polar Surface Area86.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Heavy Atom Count18
Formal Charge0
Complexity333
SMILES
CC(CCOC(=O)CC(=O)C)OC(=O)CC(=O)C
InChI
InChI=1S/C12H18O6/c1-8(13)6-11(15)17-5-4-10(3)18-12(16)7-9(2)14/h10H,4-7H2,1-3H3
InChIKey
MDOKNTXSIGQKCJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of BD-AcAc2
CAS: 58213-75-5
CID: 15712823
Formula: C12H18O6
MW: 258.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight258.27
XLogP30.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count10
Exact Mass258.11033829
Monoisotopic Mass258.11033829
Topological Polar Surface Area86.7 Ų
Heavy Atom Count18
Formal Charge0
Complexity333
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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