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Mal-PEG2-NHS ester

CAT: 0931-T15982-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T15982-01Size:25 mg
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CAS Number
1433997-01-3
Target
ADC Linker
Related Pathways
Antibody-drug Conjugate/ADC Related
Purity
0.9853
Bioactivity
Mal-PEG2-NHS ester is an indestructible ADC linker used for synthesizing ADC compounds.
Smiles
O=C(ON1C(=O)CCC1=O)CCOCCOCCN2C(=O)C=CC2=O
Molecular Formula
C15H18N2O8
Molecular Weight
354.31
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Mal-PEG2-NHS ester
CAS Number1433997-01-3
PubChem CID59129882
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-(2,5-dioxopyrrol-1-yl)ethoxy]ethoxy]propanoate
Molecular FormulaC15H18N2O8
Molecular Weight354.31
XLogP-1.9
Topological Polar Surface Area120
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count11
Heavy Atom Count25
Formal Charge0
Complexity566
SMILES
C1CC(=O)N(C1=O)OC(=O)CCOCCOCCN2C(=O)C=CC2=O
InChI
InChI=1S/C15H18N2O8/c18-11-1-2-12(19)16(11)6-8-24-10-9-23-7-5-15(22)25-17-13(20)3-4-14(17)21/h1-2H,3-10H2
InChIKey
KMEJZQCDHANYJV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Mal-PEG2-NHS ester
CAS: 1433997-01-3
CID: 59129882
Formula: C15H18N2O8
MW: 354.31
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight354.31
XLogP3-1.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count11
Exact Mass354.10631554
Monoisotopic Mass354.10631554
Topological Polar Surface Area120 Ų
Heavy Atom Count25
Formal Charge0
Complexity566
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