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Propargyl-NH-PEG3-C2-NHS ester

CAT: 0931-T18562-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T18562-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1214319-94-4
Target
ADC Linker
Related Pathways
Antibody-drug Conjugate/ADC Related
Bioactivity
Propargyl-NH-PEG3-C2-NHS ester is a non-cleavable triethylene glycol linker featuring propargyl and N-hydroxysuccinimide (NHS) functional groups, used in the synthesis of antibody-drug conjugates (ADCs) [1].
Smiles
O=C(ON1C(=O)CCC1=O)CCOCCOCCOCCNCC#C
Molecular Formula
C16H24N2O7
Molecular Weight
356.37
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Propargyl-NH-PEG3-C2-NHS ester
CAS Number1214319-94-4
PubChem CID118797101
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-(prop-2-ynylamino)ethoxy]ethoxy]ethoxy]propanoate
Molecular FormulaC16H24N2O7
Molecular Weight356.37
XLogP-1.6
Topological Polar Surface Area103
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count15
Heavy Atom Count25
Formal Charge0
Complexity470
SMILES
C#CCNCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O
InChI
InChI=1S/C16H24N2O7/c1-2-6-17-7-9-23-11-13-24-12-10-22-8-5-16(21)25-18-14(19)3-4-15(18)20/h1,17H,3-13H2
InChIKey
CHLIFODILFXXNH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Propargyl-NH-PEG3-C2-NHS ester
CAS: 1214319-94-4
CID: 118797101
Formula: C16H24N2O7
MW: 356.37
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight356.37
XLogP3-1.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count15
Exact Mass356.15835111
Monoisotopic Mass356.15835111
Topological Polar Surface Area103 Ų
Heavy Atom Count25
Formal Charge0
Complexity470
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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