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Bis-PEG7-t-butyl ester

CAT: 0013-GTR19260900-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19260900-01Size:10 mg
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Description
Bis-PEG7-t-butyl ester is a PROTAC linker belonging to the PEG class, used for synthesizing PROTAC molecules.
CAS Number
2702251-39-4
Field of Research
Pharmacology & Drug Discovery
Smiles
O=C (OC (C) (C) C) CCOCCOCCOCCOCCOCCOCCC (=O) OC (C) (C) C
Molecular Formula
C24H46O10
Molecular Weight
494.62
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-{2-[2-(2-{2-[2-(2-tert-Butoxycarbonyl-ethoxy)-ethoxy]-ethoxy}-ethoxy)-ethoxy]-ethoxy}-propionic acid tert-butyl ester
CAS Number2702251-39-4
PubChem CID18374585
IUPAC Nametert-butyl 3-[2-[2-[2-[2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
Molecular FormulaC24H46O10
Molecular Weight494.6
XLogP1
Topological Polar Surface Area108
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count25
Heavy Atom Count34
Formal Charge0
Complexity465
SMILES
CC(C)(C)OC(=O)CCOCCOCCOCCOCCOCCOCCC(=O)OC(C)(C)C
InChI
InChI=1S/C24H46O10/c1-23(2,3)33-21(25)7-9-27-11-13-29-15-17-31-19-20-32-18-16-30-14-12-28-10-8-22(26)34-24(4,5)6/h7-20H2,1-6H3
InChIKey
OHIYLCSRPCKLGF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-{2-[2-(2-{2-[2-(2-tert-Butoxycarbonyl-ethoxy)-ethoxy]-ethoxy}-ethoxy)-ethoxy]-ethoxy}-propionic acid tert-butyl ester
CAS: 2702251-39-4
CID: 18374585
Formula: C24H46O10
MW: 494.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight494.6
XLogP31
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count10
Rotatable Bond Count25
Exact Mass494.30909766
Monoisotopic Mass494.30909766
Topological Polar Surface Area108 Ų
Heavy Atom Count34
Formal Charge0
Complexity465
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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