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Benzyl-PEG4-Boc

CAT: 0804-HY-138346-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-138346-01Size:100 mg
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Description
Benzyl-PEG4-Boc is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].
CAS Number
2484091-04-3
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-peg4-boc.html
Purity
98.97
Solubility
10 mM in DMSO
Smiles
O=C(OC(C)(C)C)CCOCCOCCOCCOCC1=CC=CC=C1
Molecular Formula
C20H32O6
Molecular Weight
368.46
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501
References & Citations
[1]An S, et al. Small-molecule PROTACs: An emerging and promising approach for the development of targeted therapy drugs. EBioMedicine. 2018 Oct;36:553-562
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
PEG Linkers

Chemical Information

Benzyl-PEG4-Boc
CAS Number2484091-04-3
PubChem CID156597044
IUPAC Nametert-butyl 3-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]propanoate
Molecular FormulaC20H32O6
Molecular Weight368.5
XLogP1.9
Topological Polar Surface Area63.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count16
Heavy Atom Count26
Formal Charge0
Complexity347
SMILES
CC(C)(C)OC(=O)CCOCCOCCOCCOCC1=CC=CC=C1
InChI
InChI=1S/C20H32O6/c1-20(2,3)26-19(21)9-10-22-11-12-23-13-14-24-15-16-25-17-18-7-5-4-6-8-18/h4-8H,9-17H2,1-3H3
InChIKey
QJABOSFLNXQSOT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Benzyl-PEG4-Boc
CAS: 2484091-04-3
CID: 156597044
Formula: C20H32O6
MW: 368.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight368.5
XLogP31.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count16
Exact Mass368.21988874
Monoisotopic Mass368.21988874
Topological Polar Surface Area63.2 Ų
Heavy Atom Count26
Formal Charge0
Complexity347
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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