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Azido-PEG3-S-PEG3-azide

CAT: 0931-T17502-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T17502-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2055023-77-1
Target
PROTAC Linker, Others
Related Pathways
PROTAC, Others
Bioactivity
Azido-PEG3-S-PEG3-azide is a polyethylene glycol (PEG) -derived linker engineered for the synthesis of proteolysis targeting chimeras (PROTACs) [1].
Smiles
[N-]=[N+]=NCCOCCOCCOCCSCCOCCOCCOCCN=[N+]=[N-]
Molecular Formula
C16H32N6O6S
Molecular Weight
436.53
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Azido-PEG3-S-PEG3-azide
CAS Number2055023-77-1
PubChem CID123132142
IUPAC Name1-azido-2-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethylsulfanyl]ethoxy]ethoxy]ethoxy]ethane
Molecular FormulaC16H32N6O6S
Molecular Weight436.5
XLogP1.8
Topological Polar Surface Area109
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count11
Rotatable Bond Count24
Heavy Atom Count29
Formal Charge0
Complexity400
SMILES
C(COCCOCCOCCSCCOCCOCCOCCN=[N+]=[N-])N=[N+]=[N-]
InChI
InChI=1S/C16H32N6O6S/c17-21-19-1-3-23-5-7-25-9-11-27-13-15-29-16-14-28-12-10-26-8-6-24-4-2-20-22-18/h1-16H2
InChIKey
ABRFJJCUJNOGLS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Azido-PEG3-S-PEG3-azide
CAS: 2055023-77-1
CID: 123132142
Formula: C16H32N6O6S
MW: 436.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight436.5
XLogP31.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count11
Rotatable Bond Count24
Exact Mass436.21040394
Monoisotopic Mass436.21040394
Topological Polar Surface Area109 Ų
Heavy Atom Count29
Formal Charge0
Complexity400
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