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N-Boc-N-bis (PEG3-azide)

CAT: 0013-GTR19226294-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19226294-01Size:100 mg
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Description
N-Boc-N-bis (PEG3-azide) is a heterobifunctional PEG-based linker used in constructing PROTACs and other bifunctional molecules. Its application facilitates the development of targeted protein degraders for both in vitro biochemical studies and in vivo proof-of-concept research in chemical biology and drug discovery.
CAS Number
1258939-38-6
Field of Research
Cell Biology, Pharmacology & Drug Discovery
Smiles
[N-]=[N+]=NCCOCCOCCOCCN (C (=O) OC (C) (C) C) CCOCCOCCOCCN=[N+]=[N-]
Molecular Formula
C21H41N7O8
Molecular Weight
519.59
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-Boc-N-bis(PEG3-azide)
CAS Number1258939-38-6
PubChem CID123132097
IUPAC Nametert-butyl N,N-bis[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethyl]carbamate
Molecular FormulaC21H41N7O8
Molecular Weight519.6
XLogP2
Topological Polar Surface Area114
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count12
Rotatable Bond Count26
Heavy Atom Count36
Formal Charge0
Complexity598
SMILES
CC(C)(C)OC(=O)N(CCOCCOCCOCCN=[N+]=[N-])CCOCCOCCOCCN=[N+]=[N-]
InChI
InChI=1S/C21H41N7O8/c1-21(2,3)36-20(29)28(6-10-32-14-18-34-16-12-30-8-4-24-26-22)7-11-33-15-19-35-17-13-31-9-5-25-27-23/h4-19H2,1-3H3
InChIKey
QFOPRIUYDMJUNP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-Boc-N-bis(PEG3-azide)
CAS: 1258939-38-6
CID: 123132097
Formula: C21H41N7O8
MW: 519.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight519.6
XLogP32
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count12
Rotatable Bond Count26
Exact Mass519.30166129
Monoisotopic Mass519.30166129
Topological Polar Surface Area114 Ų
Heavy Atom Count36
Formal Charge0
Complexity598
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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