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Tos-PEG4-t-butyl ester

CAT: 0013-GTR19215679-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19215679-01Size:100 mg
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Description
Tos-PEG4-t-butyl ester (Tos-PEG4-Boc) is a key PEG-based linker used in constructing PROTAC molecules for targeted protein degradation research. It has been utilized in the development of potent degraders like the FAK-targeting PROTAC BI-3663, which demonstrates nanomolar cellular activity in vitro.
CAS Number
217817-01-1
Field of Research
Pharmacology & Drug Discovery
Smiles
S (OCCOCCOCCOCCC (OC (C) (C) C) =O) (=O) (=O) C1=CC=C (C) C=C1
Molecular Formula
C20H32O8S
Molecular Weight
432.53
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Tos-PEG4-t-butyl ester
CAS Number217817-01-1
PubChem CID60146205
IUPAC Nametert-butyl 3-[2-[2-[2-(4-methylphenyl)sulfonyloxyethoxy]ethoxy]ethoxy]propanoate
Molecular FormulaC20H32O8S
Molecular Weight432.5
XLogP1.9
Topological Polar Surface Area106
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count16
Heavy Atom Count29
Formal Charge0
Complexity542
SMILES
CC1=CC=C(C=C1)S(=O)(=O)OCCOCCOCCOCCC(=O)OC(C)(C)C
InChI
InChI=1S/C20H32O8S/c1-17-5-7-18(8-6-17)29(22,23)27-16-15-26-14-13-25-12-11-24-10-9-19(21)28-20(2,3)4/h5-8H,9-16H2,1-4H3
InChIKey
AAQWIVKRAHBPDM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tos-PEG4-t-butyl ester
CAS: 217817-01-1
CID: 60146205
Formula: C20H32O8S
MW: 432.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight432.5
XLogP31.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count16
Exact Mass432.18178915
Monoisotopic Mass432.18178915
Topological Polar Surface Area106 Ų
Heavy Atom Count29
Formal Charge0
Complexity542
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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