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Fmoc-PEG3-C2-NHS ester

CAT: 0931-T15330-02Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0931-T15330-02Size:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1352827-47-4
Target
Others, PROTAC Linker
Related Pathways
PROTAC, Others
Bioactivity
Fmoc-PEG3-CH2CH2-NHS ester is a PEG-based linker derived from fluorenylmethoxycarbonyl (Fmoc) used for the efficient synthesis of PROTACs (proteolysis-targeting chimeras) [1], offering a practical solution for connecting desired molecules and targeting specific proteins for degradation.
Smiles
O=C(OCC1C=2C=CC=CC2C=3C=CC=CC31)NCCOCCOCCOCCC(=O)ON4C(=O)CCC4=O
Molecular Formula
C28H32N2O9
Molecular Weight
540.56
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Fmoc-PEG3-NHS ester
CAS Number1352827-47-4
PubChem CID58572163
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]ethoxy]ethoxy]propanoate
Molecular FormulaC28H32N2O9
Molecular Weight540.6
XLogP1.6
Topological Polar Surface Area130
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count17
Heavy Atom Count39
Formal Charge0
Complexity800
SMILES
C1CC(=O)N(C1=O)OC(=O)CCOCCOCCOCCNC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C28H32N2O9/c31-25-9-10-26(32)30(25)39-27(33)11-13-35-15-17-37-18-16-36-14-12-29-28(34)38-19-24-22-7-3-1-5-20(22)21-6-2-4-8-23(21)24/h1-8,24H,9-19H2,(H,29,34)
InChIKey
KMYBRMLPVIWJEW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Fmoc-PEG3-NHS ester
CAS: 1352827-47-4
CID: 58572163
Formula: C28H32N2O9
MW: 540.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight540.6
XLogP31.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count17
Exact Mass540.21078060
Monoisotopic Mass540.21078060
Topological Polar Surface Area130 Ų
Heavy Atom Count39
Formal Charge0
Complexity800
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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