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Benzyl-PEG12-alcohol

CAT: 1410-M35140-01Size: 1 EachDry Ice: NoHazardous: No
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Description
Benzyl-PEG12-alcohol is a PEG-based linker for PROTACs, connecting two essential ligands to form PROTAC molecules. This linker facilitates selective protein degradation by utilizing the ubiquitin-proteasome system within cells.
CAS Number
2218463-17-1
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
636.77
Molecular Formula
C31H56O13
Notes
Research use only, not for human use.
Receptor
PROTACs

Chemical Information

Poly(oxy-1,2-ethanediyl), alpha-(phenylmethyl)-omega-hydroxy-
CAS Number2218463-17-1
PubChem CID23520313
IUPAC Name2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
Molecular FormulaC31H56O13
Molecular Weight636.8
XLogP-0.7
Topological Polar Surface Area131
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count13
Rotatable Bond Count37
Heavy Atom Count44
Formal Charge0
Complexity527
SMILES
C1=CC=C(C=C1)COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
InChI
InChI=1S/C31H56O13/c32-6-7-33-8-9-34-10-11-35-12-13-36-14-15-37-16-17-38-18-19-39-20-21-40-22-23-41-24-25-42-26-27-43-28-29-44-30-31-4-2-1-3-5-31/h1-5,32H,6-30H2
InChIKey
UUPLECFEWRITCF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Poly(oxy-1,2-ethanediyl), alpha-(phenylmethyl)-omega-hydroxy-
CAS: 2218463-17-1
CID: 23520313
Formula: C31H56O13
MW: 636.8
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight636.8
XLogP3-0.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count13
Rotatable Bond Count37
Exact Mass636.37209184
Monoisotopic Mass636.37209184
Topological Polar Surface Area131 Ų
Heavy Atom Count44
Formal Charge0
Complexity527
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