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MS-PEG3-dodecyl

CAT: 0013-GTR19222283-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19222283-01Size:100 mg
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Description
MS-PEG3-dodecyl is a polyethylene glycol (PEG) -based linker designed for constructing PROTAC molecules. It connects a target protein ligand to an E3 ubiquitin ligase ligand, enabling targeted protein degradation via the ubiquitin-proteasome system in both cellular and in vivo research contexts.
CAS Number
2148295-99-0
Field of Research
Cell Biology, Pharmacology & Drug Discovery
Smiles
CCCCCCCCCCCCOCCOCCOCCOS (C) (=O) =O
Molecular Formula
C19H40O6S
Molecular Weight
396.58
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

MS-PEG3-dodecyl
CAS Number2148295-99-0
PubChem CID118796276
IUPAC Name2-[2-(2-dodecoxyethoxy)ethoxy]ethyl methanesulfonate
Molecular FormulaC19H40O6S
Molecular Weight396.6
XLogP4.8
Topological Polar Surface Area79.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count21
Heavy Atom Count26
Formal Charge0
Complexity367
SMILES
CCCCCCCCCCCCOCCOCCOCCOS(=O)(=O)C
InChI
InChI=1S/C19H40O6S/c1-3-4-5-6-7-8-9-10-11-12-13-22-14-15-23-16-17-24-18-19-25-26(2,20)21/h3-19H2,1-2H3
InChIKey
CQOZFCWVYJTZJQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of MS-PEG3-dodecyl
CAS: 2148295-99-0
CID: 118796276
Formula: C19H40O6S
MW: 396.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight396.6
XLogP34.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count21
Exact Mass396.25456017
Monoisotopic Mass396.25456017
Topological Polar Surface Area79.4 Ų
Heavy Atom Count26
Formal Charge0
Complexity367
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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T39623-01MS-PEG3-dodecyl
MD176176-3MS-PEG3-MS
BIPG1656-01Ms-PEG3
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