Products for Research Use Only

Lipoamido-PEG8-acid

CAT: 0013-GTR19225539-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19225539-01Size:100 mg
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Description
Lipoamido-PEG8-acid is a heterobifunctional PEG linker used to construct PROTAC molecules for targeted protein degradation. It connects a target-binding ligand to an E3 ligase recruiter, enabling the study of protein function in both cellular and in vivo models via the ubiquitin-proteasome system.
CAS Number
1334172-70-1
Field of Research
Pharmacology & Drug Discovery
Smiles
C (CCCC (NCCOCCOCCOCCOCCOCCOCCOCCOCCC (O) =O) =O) [C@@H]1CCSS1
Molecular Formula
C27H51NO11S2
Molecular Weight
629.82
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Lipoamido-PEG8-acid
CAS Number1334172-70-1
PubChem CID77078207
IUPAC Name3-[2-[2-[2-[2-[2-[2-[2-[2-[5-(dithiolan-3-yl)pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
Molecular FormulaC27H51NO11S2
Molecular Weight629.8
XLogP-0.3
Topological Polar Surface Area191
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count13
Rotatable Bond Count32
Heavy Atom Count41
Formal Charge0
Complexity608
SMILES
C1CSSC1CCCCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)O
InChI
InChI=1S/C27H51NO11S2/c29-26(4-2-1-3-25-6-24-40-41-25)28-7-9-33-11-13-35-15-17-37-19-21-39-23-22-38-20-18-36-16-14-34-12-10-32-8-5-27(30)31/h25H,1-24H2,(H,28,29)(H,30,31)
InChIKey
ZIKXLXWMWZSKAA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Lipoamido-PEG8-acid
CAS: 1334172-70-1
CID: 77078207
Formula: C27H51NO11S2
MW: 629.8
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight629.8
XLogP3-0.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count13
Rotatable Bond Count32
Exact Mass629.29035379
Monoisotopic Mass629.29035379
Topological Polar Surface Area191 Ų
Heavy Atom Count41
Formal Charge0
Complexity608
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes