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PPA

CAT: 0931-T40549-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T40549-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
452072-22-9
Target
ADC Linker
Related Pathways
Antibody-drug Conjugate/ADC Related
Bioactivity
PPA serves as an ADC linker (US20060073528A1), facilitating the production of antibody-drug conjugates.
Smiles
CC(CCC(O)=O)SSc1ccccn1
Molecular Formula
C10H13NO2S2
Molecular Weight
243.34
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4-(2-Pyridyldithio)pentanoic acid
CAS Number452072-22-9
PubChem CID11536061
IUPAC Name4-(pyridin-2-yldisulfanyl)pentanoic acid
Molecular FormulaC10H13NO2S2
Molecular Weight243.4
XLogP2
Topological Polar Surface Area101
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count15
Formal Charge0
Complexity202
SMILES
CC(CCC(=O)O)SSC1=CC=CC=N1
InChI
InChI=1S/C10H13NO2S2/c1-8(5-6-10(12)13)14-15-9-4-2-3-7-11-9/h2-4,7-8H,5-6H2,1H3,(H,12,13)
InChIKey
OOUPHXWHXYLQBK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(2-Pyridyldithio)pentanoic acid
CAS: 452072-22-9
CID: 11536061
Formula: C10H13NO2S2
MW: 243.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight243.4
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass243.03877100
Monoisotopic Mass243.03877100
Topological Polar Surface Area101 Ų
Heavy Atom Count15
Formal Charge0
Complexity202
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

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