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DDMS

CAT: 0607-C5228-10Size: 10 mg (Solution)Dry Ice: NoHazardous: No
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CAT#:0607-C5228-10Size:10 mg (Solution)
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Description
CYP4A2 enzyme inhibitor
CAS Number
206052-03-1
Product Name Alternative
12,12-dibromo-N-(methylsulfonyl)-11-dodecenamide
Sequence
Dibromo-dodecenyl-methylsulfimide
Field of Research
Metabolism CYP3A CYP450
Purity
0.98
Form
A solution in ethanol. To change the solvent, simply evaporate the ethanol under a gentle stream of nitrogen and immediately add the solvent of choice.
Solubility
≤20mg/ml in DMSO;30mg/ml in dimethyl formamide
Smiles
BrC(=CCCCCCCCCCC(=O)NS(=O)(=O)C)Br
Molecular Formula
C13H23Br2NO3S
Molecular Weight
433.2
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

12,12-Dibromo-N-(methylsulfonyl)-11-dodecenamide
CAS Number206052-03-1
PubChem CID11212661
IUPAC Name12,12-dibromo-N-methylsulfonyldodec-11-enamide
Molecular FormulaC13H23Br2NO3S
Molecular Weight433.20
XLogP5
Topological Polar Surface Area71.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count11
Heavy Atom Count20
Formal Charge0
Complexity398
SMILES
CS(=O)(=O)NC(=O)CCCCCCCCCC=C(Br)Br
InChI
InChI=1S/C13H23Br2NO3S/c1-20(18,19)16-13(17)11-9-7-5-3-2-4-6-8-10-12(14)15/h10H,2-9,11H2,1H3,(H,16,17)
InChIKey
BDCZFOHEQGRTBW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 12,12-Dibromo-N-(methylsulfonyl)-11-dodecenamide
CAS: 206052-03-1
CID: 11212661
Formula: C13H23Br2NO3S
MW: 433.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight433.20
XLogP35
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count11
Exact Mass432.97449
Monoisotopic Mass430.97654
Topological Polar Surface Area71.6 Ų
Heavy Atom Count20
Formal Charge0
Complexity398
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
TRC-D195300-250MGDDMS
T69553-01P, p'-DDMS
MBS5812099p,p'-DDMS

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