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6-Bromohexylphosphonic acid

CAT: 0013-GTR19226793-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19226793-01Size:100 mg
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Description
6-Bromohexylphosphonic acid is a bifunctional linker utilized in PROTAC (Proteolysis Targeting Chimera) synthesis. It serves as a key building block for constructing heterobifunctional molecules in chemical biology research, enabling targeted protein degradation studies in both cellular and biochemical assays.
CAS Number
133345-66-1
Field of Research
Pharmacology & Drug Discovery
Smiles
O=P (O) (O) CCCCCCBr
Molecular Formula
C6H14BrO3P
Molecular Weight
245.05
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

6-Bromohexylphosphonic acid
CAS Number133345-66-1
PubChem CID57094752
IUPAC Name6-bromohexylphosphonic acid
Molecular FormulaC6H14BrO3P
Molecular Weight245.05
XLogP0.6
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count11
Formal Charge0
Complexity134
SMILES
C(CCCBr)CCP(=O)(O)O
InChI
InChI=1S/C6H14BrO3P/c7-5-3-1-2-4-6-11(8,9)10/h1-6H2,(H2,8,9,10)
InChIKey
GCUMTUOIJWOTCQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Bromohexylphosphonic acid
CAS: 133345-66-1
CID: 57094752
Formula: C6H14BrO3P
MW: 245.05
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight245.05
XLogP30.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass243.98639
Monoisotopic Mass243.98639
Topological Polar Surface Area57.5 Ų
Heavy Atom Count11
Formal Charge0
Complexity134
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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