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Mal-PEG8-NHS ester

CAT: 0013-GTR19226359-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19226359-01Size:100 mg
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Description
Mal-PEG8-NHS ester is a heterobifunctional linker used in constructing PROTAC molecules for targeted protein degradation research. Its maleimide and NHS ester groups enable conjugation to thiol and amine groups, respectively, facilitating the development of degraders for both in vitro and in vivo experimental applications.
CAS Number
2055033-05-9
Field of Research
Pharmacology & Drug Discovery
Smiles
O=C (ON1C (=O) CCC1=O) CCOCCOCCOCCOCCOCCOCCOCCOCCN2C (=O) C=CC2=O
Molecular Formula
C27H42N2O14
Molecular Weight
618.63
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Mal-PEG8-NHS ester
CAS Number2055033-05-9
PubChem CID123132102
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[2-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
Molecular FormulaC27H42N2O14
Molecular Weight618.6
XLogP-2.8
Topological Polar Surface Area175
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count14
Rotatable Bond Count29
Heavy Atom Count43
Formal Charge0
Complexity850
SMILES
C1CC(=O)N(C1=O)OC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCN2C(=O)C=CC2=O
InChI
InChI=1S/C27H42N2O14/c30-23-1-2-24(31)28(23)6-8-36-10-12-38-14-16-40-18-20-42-22-21-41-19-17-39-15-13-37-11-9-35-7-5-27(34)43-29-25(32)3-4-26(29)33/h1-2H,3-22H2
InChIKey
JJKBMZPIICCZSX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Mal-PEG8-NHS ester
CAS: 2055033-05-9
CID: 123132102
Formula: C27H42N2O14
MW: 618.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight618.6
XLogP3-2.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count14
Rotatable Bond Count29
Exact Mass618.26360402
Monoisotopic Mass618.26360402
Topological Polar Surface Area175 Ų
Heavy Atom Count43
Formal Charge0
Complexity850
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