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AcBut

CAT: 0931-T84740-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T84740-01Size:10 mg
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CAS Number
65623-82-7
Target
ADC Linker
Related Pathways
Antibody-drug Conjugate/ADC Related
Bioactivity
AcBut, a cleavable linker utilized in the synthesis of Ozogamicin, facilitates the production of agent-linker conjugates for antibody-drug conjugates (ADC) [1].
Smiles
CC(=O)c1ccc(OCCCC(O)=O)cc1
Molecular Formula
C12H14O4
Molecular Weight
222.24
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4-(4-Acetylphenoxy)butanoic acid
CAS Number65623-82-7
PubChem CID2339350
IUPAC Name4-(4-acetylphenoxy)butanoic acid
Molecular FormulaC12H14O4
Molecular Weight222.24
XLogP1.4
Topological Polar Surface Area63.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count16
Formal Charge0
Complexity241
SMILES
CC(=O)C1=CC=C(C=C1)OCCCC(=O)O
InChI
InChI=1S/C12H14O4/c1-9(13)10-4-6-11(7-5-10)16-8-2-3-12(14)15/h4-7H,2-3,8H2,1H3,(H,14,15)
InChIKey
FNHIEZKOCYDCOH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(4-Acetylphenoxy)butanoic acid
CAS: 65623-82-7
CID: 2339350
Formula: C12H14O4
MW: 222.24
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight222.24
XLogP31.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass222.08920892
Monoisotopic Mass222.08920892
Topological Polar Surface Area63.6 Ų
Heavy Atom Count16
Formal Charge0
Complexity241
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