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S-acetyl-PEG5-alcohol

CAT: 0804-HY-138748Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-138748Size:1 Each
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Description
S-acetyl-PEG5-alcohol is a PEG-based PROTAC linker that can be used in the synthesis of PROTACs[1].
CAS Number
1000415-61-1
UNSPSC
12352100
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/s-acetyl-peg5-alcohol.html
Solubility
10 mM in DMSO
Smiles
CC(SCCOCCOCCOCCOCCO)=O
Molecular Formula
C12H24O6S
Molecular Weight
296.38
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
References & Citations
[1]Nalawansha DA, et al. PROTACs: An Emerging Therapeutic Modality in Precision Medicine. Cell Chem Biol. 2020;27 (8) :998-1014.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
PEG Linkers

Chemical Information

S-acetyl-PEG5-alcohol
CAS Number1000415-61-1
PubChem CID58879706
IUPAC NameS-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl] ethanethioate
Molecular FormulaC12H24O6S
Molecular Weight296.38
XLogP-0.6
Topological Polar Surface Area99.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count15
Heavy Atom Count19
Formal Charge0
Complexity203
SMILES
CC(=O)SCCOCCOCCOCCOCCO
InChI
InChI=1S/C12H24O6S/c1-12(14)19-11-10-18-9-8-17-7-6-16-5-4-15-3-2-13/h13H,2-11H2,1H3
InChIKey
QJGLHDQKAASANO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of S-acetyl-PEG5-alcohol
CAS: 1000415-61-1
CID: 58879706
Formula: C12H24O6S
MW: 296.38
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight296.38
XLogP3-0.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count15
Exact Mass296.12935965
Monoisotopic Mass296.12935965
Topological Polar Surface Area99.5 Ų
Heavy Atom Count19
Formal Charge0
Complexity203
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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