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Biotin-PEG3-alcohol

CAT: 0804-HY-135179Size: 1 EachDry Ice: NoHazardous: No
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Description
Biotin-PEG3-alcohol is a PEG-based PROTAC linker can be used in the synthesis of PROTAC.
CAS Number
289714-02-9
Product Name Alternative
(+) -Biotin-PEG3-OH
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
PROTAC Linkers
Type
Reference compound
Related Pathways
PROTAC
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/biotin-peg3-alcohol.html
Solubility
10 mM in DMSO
Smiles
O=C(NCCOCCOCCO)CCCC[C@@H]1SC[C@]([C@]1([H])N2)([H])NC2=O
Molecular Formula
C16H29N3O5S
Molecular Weight
375.48
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
PEG Linkers

Chemical Information

Biotin-PEG3-alcohol
CAS Number289714-02-9
PubChem CID15479401
IUPAC Name5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]pentanamide
Molecular FormulaC16H29N3O5S
Molecular Weight375.5
XLogP-0.9
Topological Polar Surface Area134
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count13
Heavy Atom Count25
Formal Charge0
Complexity427
SMILES
C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCOCCOCCO)NC(=O)N2
InChI
InChI=1S/C16H29N3O5S/c20-6-8-24-10-9-23-7-5-17-14(21)4-2-1-3-13-15-12(11-25-13)18-16(22)19-15/h12-13,15,20H,1-11H2,(H,17,21)(H2,18,19,22)/t12-,13-,15-/m0/s1
InChIKey
JMPJDHGWKSPEEE-YDHLFZDLSA-N
Chemical Structure
2D Structure
2D structure of Biotin-PEG3-alcohol
CAS: 289714-02-9
CID: 15479401
Formula: C16H29N3O5S
MW: 375.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight375.5
XLogP3-0.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count13
Exact Mass375.18279221
Monoisotopic Mass375.18279221
Topological Polar Surface Area134 Ų
Heavy Atom Count25
Formal Charge0
Complexity427
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

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