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C75

CAT: 0931-T10657-03Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T10657-03Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
218137-86-1
Target
Fatty Acid Synthase
Related Pathways
Metabolism
Purity
>99.99%
Bioactivity
C75 is an inhibitor synthetic fatty-acid synthase (FASN) and inhibits prostate cancer cells PC3 (IC50: 35 μM) .C75 increases CPT1 activity and reduces DIO.
Smiles
CCCCCCCCC1OC(=O)C(=C)C1C(O)=O
Molecular Formula
C14H22O4
Molecular Weight
254.32
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Tetrahydro-4-methylene-2-octyl-5-oxo-3-furancarboxylic acid

4-methylene-2-octyl-5-oxo-3-oxolanecarboxylic acid is a gamma-lactone.

CAS Number218137-86-1
PubChem CID4248455
IUPAC Name4-methylidene-2-octyl-5-oxooxolane-3-carboxylic acid
Molecular FormulaC14H22O4
Molecular Weight254.32
XLogP4
Topological Polar Surface Area63.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count18
Formal Charge0
Complexity322
SMILES
CCCCCCCCC1C(C(=C)C(=O)O1)C(=O)O
InChI
InChI=1S/C14H22O4/c1-3-4-5-6-7-8-9-11-12(13(15)16)10(2)14(17)18-11/h11-12H,2-9H2,1H3,(H,15,16)
InChIKey
VCWLZDVWHQVAJU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tetrahydro-4-methylene-2-octyl-5-oxo-3-furancarboxylic acid
CAS: 218137-86-1
CID: 4248455
Formula: C14H22O4
MW: 254.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight254.32
XLogP34
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass254.15180918
Monoisotopic Mass254.15180918
Topological Polar Surface Area63.6 Ų
Heavy Atom Count18
Formal Charge0
Complexity322
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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