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Benzyl-PEG6-NHBoc

CAT: 0013-GTR19222288-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19222288-01Size:100 mg
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Description
Benzyl-PEG6-NHBoc is a flexible, water-soluble linker used to construct PROTAC molecules for targeted protein degradation. It enables the assembly of bifunctional degraders, facilitating both in vitro and in vivo research into the ubiquitin-proteasome system for therapeutic discovery.
CAS Number
2148295-93-4
Field of Research
Pharmacology & Drug Discovery
Smiles
CC (C) (C) OC (=O) NCCOCCOCCOCCOCCOCCOCc1ccccc1
Molecular Formula
C24H41NO8
Molecular Weight
471.591
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Benzyl-PEG6-NHBoc
CAS Number2148295-93-4
PubChem CID118796275
IUPAC Nametert-butyl N-[2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
Molecular FormulaC24H41NO8
Molecular Weight471.6
XLogP1.5
Topological Polar Surface Area93.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count22
Heavy Atom Count33
Formal Charge0
Complexity452
SMILES
CC(C)(C)OC(=O)NCCOCCOCCOCCOCCOCCOCC1=CC=CC=C1
InChI
InChI=1S/C24H41NO8/c1-24(2,3)33-23(26)25-9-10-27-11-12-28-13-14-29-15-16-30-17-18-31-19-20-32-21-22-7-5-4-6-8-22/h4-8H,9-21H2,1-3H3,(H,25,26)
InChIKey
UCUVQZHCUVOJHX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Benzyl-PEG6-NHBoc
CAS: 2148295-93-4
CID: 118796275
Formula: C24H41NO8
MW: 471.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight471.6
XLogP31.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count22
Exact Mass471.28321727
Monoisotopic Mass471.28321727
Topological Polar Surface Area93.7 Ų
Heavy Atom Count33
Formal Charge0
Complexity452
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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