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Benzyl-PEG2-CH2-Boc

CAT: 0804-HY-130172-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-130172-01Size:100 mg
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Description
Benzyl-PEG2-CH2-Boc is a PEG-based PROTAC linker can be used in the synthesis of PROTACs.
CAS Number
1643957-26-9
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
PROTAC Linkers
Type
Reference compound
Related Pathways
PROTAC
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/benzyl-peg2-ch2-boc.html
Purity
98.0
Solubility
DMSO : ≥ 50 mg/mL
Smiles
O=C(OC(C)(C)C)COCCOCCOCC1=CC=CC=C1
Molecular Formula
C17H26O5
Molecular Weight
310.39
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501
References & Citations
[1]Ottis P, et al. Assessing Different E3 Ligases for Small Molecule Induced Protein Ubiquitination and Degradation. ACS Chem Biol. 2017 Oct 20;12 (10) :2570-2578.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Benzyl-PEG3-CH2CO2tBu
CAS Number1643957-26-9
PubChem CID77078176
IUPAC Nametert-butyl 2-[2-(2-phenylmethoxyethoxy)ethoxy]acetate
Molecular FormulaC17H26O5
Molecular Weight310.4
XLogP2.2
Topological Polar Surface Area54
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count12
Heavy Atom Count22
Formal Charge0
Complexity292
SMILES
CC(C)(C)OC(=O)COCCOCCOCC1=CC=CC=C1
InChI
InChI=1S/C17H26O5/c1-17(2,3)22-16(18)14-21-12-10-19-9-11-20-13-15-7-5-4-6-8-15/h4-8H,9-14H2,1-3H3
InChIKey
IGVRCUZLYJDPKK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Benzyl-PEG3-CH2CO2tBu
CAS: 1643957-26-9
CID: 77078176
Formula: C17H26O5
MW: 310.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight310.4
XLogP32.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count12
Exact Mass310.17802393
Monoisotopic Mass310.17802393
Topological Polar Surface Area54 Ų
Heavy Atom Count22
Formal Charge0
Complexity292
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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