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Propargyl-PEG1-SS-PEG1-C2-Boc

CAT: 0931-T16590-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T16590-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1807518-78-0
Target
ADC Linker, PROTAC Linker
Related Pathways
Antibody-drug Conjugate/ADC Related, PROTAC
Bioactivity
Propargyl-PEG1-SS-PEG1-C2-Boc is a cleavable ADC linker utilized in the synthesis of antibody-drug conjugates (ADCs) [1].
Smiles
O=C(OC(C)(C)C)CCOCCSSCCOCC#C
Molecular Formula
C14H24O4S2
Molecular Weight
320.47
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Propargyl-PEG1-SS-PEG1-t-butyl ester
CAS Number1807518-78-0
PubChem CID91757791
IUPAC Nametert-butyl 3-[2-(2-prop-2-ynoxyethyldisulfanyl)ethoxy]propanoate
Molecular FormulaC14H24O4S2
Molecular Weight320.5
XLogP1.5
Topological Polar Surface Area95.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count13
Heavy Atom Count20
Formal Charge0
Complexity304
SMILES
CC(C)(C)OC(=O)CCOCCSSCCOCC#C
InChI
InChI=1S/C14H24O4S2/c1-5-7-16-9-11-19-20-12-10-17-8-6-13(15)18-14(2,3)4/h1H,6-12H2,2-4H3
InChIKey
HXQOZIFQBVKJGA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Propargyl-PEG1-SS-PEG1-t-butyl ester
CAS: 1807518-78-0
CID: 91757791
Formula: C14H24O4S2
MW: 320.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight320.5
XLogP31.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count13
Exact Mass320.11160159
Monoisotopic Mass320.11160159
Topological Polar Surface Area95.4 Ų
Heavy Atom Count20
Formal Charge0
Complexity304
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