Tetrahydro-4-methylene-2-octyl-5-oxo-3-furancarboxylic acid
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Tetrahydro-4-methylene-2-octyl-5-oxo-3-furancarboxylic acid
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CAS No:
218137-86-1
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Formula:
C14H22O4
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Chemical Name:
Tetrahydro-4-methylene-2-octyl-5-oxo-3-furancarboxylic acid
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Synonyms:
3-Furancarboxylic acid,tetrahydro-4-methylene-2-octyl-5-oxo-;Tetrahydro-4-methylene-2-octyl-5-oxo-3-furancarboxylic acid;C 75;C 75 (enzyme inhibitor);4-Methylene-2-octyl-5-oxotetrahydrofuran-3-carboxylic acid
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CAS No:
Description
C75 is a synthetic fatty-acid synthase (FASN) inhibitor; inhibits prostate cancer cells PC3 with an IC50 of 35 μM.
4-methylene-2-octyl-5-oxo-3-oxolanecarboxylic acid is a gamma-lactone.
Tetrahydro-4-methylene-2-octyl-5-oxo-3-furancarboxylic acid Basic Attributes
254.32
254.32
8E9A8CTX2H
2932190090
Characteristics
63.60000
3.65
off-white solid
1.1±0.1 g/cm3
432.1±45.0 °C at 760 mmHg
159.2±22.2 °C
1.489
DMSO: 18 mg/mL
2-8°C
Computed Properties
Molecular Weight:254.32
XLogP3:4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:8
Exact Mass:254.15180918
Monoisotopic Mass:254.15180918
Topological Polar Surface Area:63.6
Heavy Atom Count:18
Complexity:322
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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Tetrahydro-4-methylene-2-octyl-5-oxo-3-furancarboxylic acid
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