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Bromo-PEG5-phosphonic acid diethyl ester

CAT: 0931-T14809-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T14809-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1446282-41-2
Target
Others, PROTAC Linker
Related Pathways
Others, PROTAC
Bioactivity
Bromo-PEG5-phosphonic acid diethyl ester is a polyethylene glycol (PEG) -based linker utilized in the construction of PROteolysis TArgeting Chimeras (PROTACs), which are heterobifunctional molecules designed to induce protein degradation[1].
Smiles
O=P(OCC)(OCC)CCOCCOCCOCCOCCOCCBr
Molecular Formula
C16H34BrO8P
Molecular Weight
465.31
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Bromo-PEG5-phosphonic acid diethyl ester
CAS Number1446282-41-2
PubChem CID77078413
IUPAC Name1-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]-2-[2-(2-diethoxyphosphorylethoxy)ethoxy]ethane
Molecular FormulaC16H34BrO8P
Molecular Weight465.31
XLogP0.2
Topological Polar Surface Area81.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count21
Heavy Atom Count26
Formal Charge0
Complexity325
SMILES
CCOP(=O)(CCOCCOCCOCCOCCOCCBr)OCC
InChI
InChI=1S/C16H34BrO8P/c1-3-24-26(18,25-4-2)16-15-23-14-13-22-12-11-21-10-9-20-8-7-19-6-5-17/h3-16H2,1-2H3
InChIKey
LVKZCSJHVKMWKR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bromo-PEG5-phosphonic acid diethyl ester
CAS: 1446282-41-2
CID: 77078413
Formula: C16H34BrO8P
MW: 465.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight465.31
XLogP30.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count21
Exact Mass464.11747
Monoisotopic Mass464.11747
Topological Polar Surface Area81.7 Ų
Heavy Atom Count26
Formal Charge0
Complexity325
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

CatalogName
HY-141301Bromo-PEG5-phosphonic acid diethyl ester
BIPG1689-01PEG5-Bis (phosphonic acid diethyl ester)
BIPG1346-01Bromo-PEG5-phosphonic acid ethyl ester
MBS5768808Bromo-PEG3-phosphonic acid diethyl ester
GTR19227235-01Bromo-PEG2-phosphonic acid diethyl ester
273824-01Diazomethyl-phosphonic acid diethyl ester
PC2536(Chlorocarbonyldifluoromethyl) phosphonic acid diethyl ester
HXC51242-01M-PEG5-phosphonic acid ethyl ester
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