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M50054

CAT: 0931-T21936-02Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0931-T21936-02Size:1 mL - 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
54135-60-3
Target
Caspase, Apoptosis
Related Pathways
Proteases/Proteasome, Apoptosis
Purity
0.9862
Bioactivity
Apoptosis Inhibitor was a novel inhibitor of programmed cell death associate with caspase-3 inhibition.
Smiles
C(C1C(=O)CCCC1=O)C2C(=O)CCCC2=O
Molecular Formula
C13H16O4
Molecular Weight
236.26
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2,2'-Methylenebis(1,3-cyclohexanedione)

2-[(2,6-dioxocyclohexyl)methyl]cyclohexane-1,3-dione is a beta-diketone.

CAS Number54135-60-3
PubChem CID2748618
IUPAC Name2-[(2,6-dioxocyclohexyl)methyl]cyclohexane-1,3-dione
Molecular FormulaC13H16O4
Molecular Weight236.26
XLogP0.2
Topological Polar Surface Area68.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count17
Formal Charge0
Complexity315
SMILES
C1CC(=O)C(C(=O)C1)CC2C(=O)CCCC2=O
InChI
InChI=1S/C13H16O4/c14-10-3-1-4-11(15)8(10)7-9-12(16)5-2-6-13(9)17/h8-9H,1-7H2
InChIKey
ILUMEPMGPCKGHH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,2'-Methylenebis(1,3-cyclohexanedione)
CAS: 54135-60-3
CID: 2748618
Formula: C13H16O4
MW: 236.26
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight236.26
XLogP30.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass236.10485899
Monoisotopic Mass236.10485899
Topological Polar Surface Area68.3 Ų
Heavy Atom Count17
Formal Charge0
Complexity315
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

Alternative Products

CatalogName
BUP10758-01M50054
HY-103347RM50054 (Standard)
MBS387592-01Apoptosis Inhibitor (M50054)
A13058-100Apoptosis Inhibitor (M50054) 100mg
A13058-5Apoptosis Inhibitor (M50054) 5mg
A13058-10mM-DApoptosis Inhibitor (M50054) 10mM * 1mL in DMSO

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