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4-Bromobutylphosphonic acid

CAT: 0013-GTR19226797-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19226797-01Size:100 mg
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Description
4-Bromobutylphosphonic acid serves as a PROTAC linker, incorporating an alkyl chain spacer to connect E3 ligase ligands with target protein binders. This bifunctional molecule is utilized in chemical biology and drug discovery research for constructing proteolysis-targeting chimeras to study protein degradation in cellular and biochemical assays.
CAS Number
1190-14-3
Field of Research
Pharmacology & Drug Discovery
Smiles
O=P (O) (O) CCCCBr
Molecular Formula
C4H10BrO3P
Molecular Weight
217
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(4-Bromobutyl)phosphonic Acid
CAS Number1190-14-3
PubChem CID18409311
IUPAC Name4-bromobutylphosphonic acid
Molecular FormulaC4H10BrO3P
Molecular Weight217.00
XLogP-0.1
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count9
Formal Charge0
Complexity110
SMILES
C(CCBr)CP(=O)(O)O
InChI
InChI=1S/C4H10BrO3P/c5-3-1-2-4-9(6,7)8/h1-4H2,(H2,6,7,8)
InChIKey
FXFARGAYPHUQQL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (4-Bromobutyl)phosphonic Acid
CAS: 1190-14-3
CID: 18409311
Formula: C4H10BrO3P
MW: 217.00
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight217.00
XLogP3-0.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass215.95509
Monoisotopic Mass215.95509
Topological Polar Surface Area57.5 Ų
Heavy Atom Count9
Formal Charge0
Complexity110
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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