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Diethyl 12-bromododecylphosphonate

CAT: 0013-GTR19226591-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19226591-01Size:100 mg
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Description
This compound serves as a phosphonate-containing PROTAC linker, featuring a 12-carbon alkyl chain terminated with a bromine atom. It is utilized in chemical synthesis to develop bifunctional degraders for targeted protein degradation studies in both cellular and preclinical research contexts.
CAS Number
264231-28-9
Field of Research
Pharmacology & Drug Discovery
Smiles
O=P (OCC) (OCC) CCCCCCCCCCCCBr
Molecular Formula
C16H34BrO3P
Molecular Weight
385.32
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Diethyl 12-bromododecylphosphonate
CAS Number264231-28-9
PubChem CID11773557
IUPAC Name1-bromo-12-diethoxyphosphoryldodecane
Molecular FormulaC16H34BrO3P
Molecular Weight385.32
XLogP5.6
Topological Polar Surface Area35.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count16
Heavy Atom Count21
Formal Charge0
Complexity252
SMILES
CCOP(=O)(CCCCCCCCCCCCBr)OCC
InChI
InChI=1S/C16H34BrO3P/c1-3-19-21(18,20-4-2)16-14-12-10-8-6-5-7-9-11-13-15-17/h3-16H2,1-2H3
InChIKey
LBZCVVYKOAEEAR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Diethyl 12-bromododecylphosphonate
CAS: 264231-28-9
CID: 11773557
Formula: C16H34BrO3P
MW: 385.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight385.32
XLogP35.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count16
Exact Mass384.14289
Monoisotopic Mass384.14289
Topological Polar Surface Area35.5 Ų
Heavy Atom Count21
Formal Charge0
Complexity252
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

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Alternative Products

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