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M-PEG24-NHS ester

CAT: 0931-T18164-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T18164-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2395839-96-8
Target
PROTAC Linker
Related Pathways
PROTAC
Purity
0.9967
Bioactivity
M-PEG24-NHS ester is a PEG-based PROTAC linker commonly used in the synthesis of PROTAC.
Smiles
O=C(ON1C(=O)CCC1=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC
Molecular Formula
C54H103NO28
Molecular Weight
1214.39
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

m-PEG24-NHS ester
CAS Number2395839-96-8
PubChem CID89254876
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
Molecular FormulaC54H103NO28
Molecular Weight1214.4
XLogP-4.4
Topological Polar Surface Area285
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count28
Rotatable Bond Count74
Heavy Atom Count83
Formal Charge0
Complexity1320
SMILES
COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O
InChI
InChI=1S/C54H103NO28/c1-59-6-7-61-10-11-63-14-15-65-18-19-67-22-23-69-26-27-71-30-31-73-34-35-75-38-39-77-42-43-79-46-47-81-50-51-82-49-48-80-45-44-78-41-40-76-37-36-74-33-32-72-29-28-70-25-24-68-21-20-66-17-16-64-13-12-62-9-8-60-5-4-54(58)83-55-52(56)2-3-53(55)57/h2-51H2,1H3
InChIKey
VACCUKVGLYJBJU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of m-PEG24-NHS ester
CAS: 2395839-96-8
CID: 89254876
Formula: C54H103NO28
MW: 1214.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1214.4
XLogP3-4.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count28
Rotatable Bond Count74
Exact Mass1213.66666163
Monoisotopic Mass1213.66666163
Topological Polar Surface Area285 Ų
Heavy Atom Count83
Formal Charge0
Complexity1320
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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