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N-Boc-PEG-t-butyl ester

CAT: 0013-GTR19222398-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19222398-01Size:100 mg
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Description
N-Boc-PEG-t-butyl ester is a bifunctional PEG linker used to construct PROTAC molecules, connecting a target-binding ligand to an E3 ligase recruiter. This enables targeted protein degradation via the ubiquitin-proteasome system, a key strategy in chemical biology and drug discovery research for both cellular and in vivo studies.
CAS Number
145119-18-2
Field of Research
Pharmacology & Drug Discovery
Smiles
CC (C) (C) OC (=O) CCOCCNC (=O) OC (C) (C) C
Molecular Formula
C14H27NO5
Molecular Weight
289.37
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

tert-Butyl 3-(2-((tert-butoxycarbonyl)amino)ethoxy)propanoate
CAS Number145119-18-2
PubChem CID89422239
IUPAC Nametert-butyl 3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]propanoate
Molecular FormulaC14H27NO5
Molecular Weight289.37
XLogP1.6
Topological Polar Surface Area73.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Heavy Atom Count20
Formal Charge0
Complexity315
SMILES
CC(C)(C)OC(=O)CCOCCNC(=O)OC(C)(C)C
InChI
InChI=1S/C14H27NO5/c1-13(2,3)19-11(16)7-9-18-10-8-15-12(17)20-14(4,5)6/h7-10H2,1-6H3,(H,15,17)
InChIKey
ZGRQFPUTXUDCAO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of tert-Butyl 3-(2-((tert-butoxycarbonyl)amino)ethoxy)propanoate
CAS: 145119-18-2
CID: 89422239
Formula: C14H27NO5
MW: 289.37
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight289.37
XLogP31.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Exact Mass289.18892296
Monoisotopic Mass289.18892296
Topological Polar Surface Area73.9 Ų
Heavy Atom Count20
Formal Charge0
Complexity315
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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