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Biotin-PEG2-NHS ester

CAT: 0013-GTR19243328-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19243328-02Size:50 mg
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Description
Biotin-PEG2-NHS ester is a heterobifunctional linker used in constructing PROTAC molecules for targeted protein degradation research. Its biotin tag enables streptavidin-based detection and pull-down assays in vitro, while the hydrophilic PEG spacer enhances solubility for cellular and in vivo applications.
CAS Number
596820-83-6
Product Name Alternative
Biotin PEG2 NHS ester, BiotinPEG2NHS ester, Biotin-PEG-2-NHS ester, Biotin-PEG2-NHS ester, PEGs
Field of Research
Metabolism Research, Pharmacology & Drug Discovery
Purity
99.72% (May vary between batches)
Solubility
DMSO:100 mg/mL (199.77 mM)
Smiles
O=C1NC2CSC (CCCCC (=O) NCCOCCOCCC (=O) ON3C (=O) CCC3=O) C2N1
Molecular Formula
C21H32N4O8S
Molecular Weight
500.57
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(+)-Biotin-PEG2-NHS ester
CAS Number596820-83-6
PubChem CID91757819
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]propanoate
Molecular FormulaC21H32N4O8S
Molecular Weight500.6
XLogP-1.3
Topological Polar Surface Area178
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count16
Heavy Atom Count34
Formal Charge0
Complexity751
SMILES
C1CC(=O)N(C1=O)OC(=O)CCOCCOCCNC(=O)CCCC[C@H]2[C@@H]3[C@H](CS2)NC(=O)N3
InChI
InChI=1S/C21H32N4O8S/c26-16(4-2-1-3-15-20-14(13-34-15)23-21(30)24-20)22-8-10-32-12-11-31-9-7-19(29)33-25-17(27)5-6-18(25)28/h14-15,20H,1-13H2,(H,22,26)(H2,23,24,30)/t14-,15-,20-/m0/s1
InChIKey
UCJSJBIJPAZUGU-AVYPCKFXSA-N
Chemical Structure
2D Structure
2D structure of (+)-Biotin-PEG2-NHS ester
CAS: 596820-83-6
CID: 91757819
Formula: C21H32N4O8S
MW: 500.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight500.6
XLogP3-1.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count16
Exact Mass500.19408517
Monoisotopic Mass500.19408517
Topological Polar Surface Area178 Ų
Heavy Atom Count34
Formal Charge0
Complexity751
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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