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Biotin-EDA

CAT: 0931-T17549-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T17549-02Size:10 mg
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CAS Number
111790-37-5
Target
PROTAC Linker
Related Pathways
PROTAC
Purity
0.9966
Bioactivity
Biotin-EDA, an alkyl chain-based PROTAC linker, is utilized in PROTAC synthesis.
Smiles
C(CCCC(NCCN)=O)[C@H]1[C@@]2([C@@](NC(=O)N2)(CS1)[H])[H]
Molecular Formula
C12H22N4O2S
Molecular Weight
286.39
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Biotinylamidoethylacetamide
CAS Number111790-37-5
PubChem CID83901
IUPAC Name5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-(2-aminoethyl)pentanamide
Molecular FormulaC12H22N4O2S
Molecular Weight286.40
XLogP-0.9
Topological Polar Surface Area122
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count19
Formal Charge0
Complexity340
SMILES
C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCN)NC(=O)N2
InChI
InChI=1S/C12H22N4O2S/c13-5-6-14-10(17)4-2-1-3-9-11-8(7-19-9)15-12(18)16-11/h8-9,11H,1-7,13H2,(H,14,17)(H2,15,16,18)/t8-,9-,11-/m0/s1
InChIKey
BNCJEZWKLUBUBB-QXEWZRGKSA-N
Chemical Structure
2D Structure
2D structure of Biotinylamidoethylacetamide
CAS: 111790-37-5
CID: 83901
Formula: C12H22N4O2S
MW: 286.40
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight286.40
XLogP3-0.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass286.14634713
Monoisotopic Mass286.14634713
Topological Polar Surface Area122 Ų
Heavy Atom Count19
Formal Charge0
Complexity340
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes