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Benzyl-PEG7-azide

CAT: 0931-T40985-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T40985-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
868594-42-7
Target
PROTAC Linker, Others
Related Pathways
PROTAC, Others
Bioactivity
Benzyl-PEG7-azide, a PEG-based linker for PROTACs, joins two essential ligands for the formation of PROTAC molecules, enabling selective protein degradation by leveraging the ubiquitin-proteasome system within cells.
Smiles
[N-]=[N+]=NCCOCCOCCOCCOCCOCCOCCOCc1ccccc1
Molecular Formula
C21H35N3O7
Molecular Weight
441.525
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Benzyl-PEG7-azide
CAS Number868594-42-7
PubChem CID57884352
IUPAC Name2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxymethylbenzene
Molecular FormulaC21H35N3O7
Molecular Weight441.5
XLogP1.6
Topological Polar Surface Area79
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count23
Heavy Atom Count31
Formal Charge0
Complexity420
SMILES
C1=CC=C(C=C1)COCCOCCOCCOCCOCCOCCOCCN=[N+]=[N-]
InChI
InChI=1S/C21H35N3O7/c22-24-23-6-7-25-8-9-26-10-11-27-12-13-28-14-15-29-16-17-30-18-19-31-20-21-4-2-1-3-5-21/h1-5H,6-20H2
InChIKey
PGBIDYWSWSMVQU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Benzyl-PEG7-azide
CAS: 868594-42-7
CID: 57884352
Formula: C21H35N3O7
MW: 441.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight441.5
XLogP31.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count23
Exact Mass441.24750046
Monoisotopic Mass441.24750046
Topological Polar Surface Area79 Ų
Heavy Atom Count31
Formal Charge0
Complexity420
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