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Benzyloxy-C5-PEG1

CAT: 0804-HY-W096134-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W096134-01Size:5 mg
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Description
Benzyloxy-C5-PEG1 is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].
CAS Number
159028-70-3
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/benzyloxy-c5-peg1.html
Solubility
10 mM in DMSO
Smiles
OCCOCCCCCOCC1=CC=CC=C1
Molecular Formula
C14H22O3
Molecular Weight
238.32
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
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
PEG Linkers

Chemical Information

Benzyloxy-C5-PEG1
CAS Number159028-70-3
PubChem CID134481560
IUPAC Name2-(5-phenylmethoxypentoxy)ethanol
Molecular FormulaC14H22O3
Molecular Weight238.32
XLogP1.8
Topological Polar Surface Area38.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count10
Heavy Atom Count17
Formal Charge0
Complexity156
SMILES
C1=CC=C(C=C1)COCCCCCOCCO
InChI
InChI=1S/C14H22O3/c15-9-12-16-10-5-2-6-11-17-13-14-7-3-1-4-8-14/h1,3-4,7-8,15H,2,5-6,9-13H2
InChIKey
YQLVMNLTOMEQNQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Benzyloxy-C5-PEG1
CAS: 159028-70-3
CID: 134481560
Formula: C14H22O3
MW: 238.32
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight238.32
XLogP31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count10
Exact Mass238.15689456
Monoisotopic Mass238.15689456
Topological Polar Surface Area38.7 Ų
Heavy Atom Count17
Formal Charge0
Complexity156
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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