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Biotin-PEG3-propionic hydrazide

CAT: 0804-HY-130560-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-130560-02Size:50 mg
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Description
Biotin-PEG3-propionic hydrazide is a PEG-based PROTAC linker can be used in the synthesis of PROTAC.
CAS Number
1381861-94-4
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-propionic-hydrazide.html
Purity
98.0
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C(NCCOCCOCCOCCC(NN)=O)CCCC[C@H]1[C@](NC2=O)([H])[C@](N2)([H])CS1
Molecular Formula
C19H35N5O6S
Molecular Weight
461.58
Precautions
H302, H315, H319, H335
Shipping Conditions
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Biotin-PEG3-hydrazide
CAS Number1381861-94-4
PubChem CID60146226
IUPAC Name5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[2-[2-(3-hydrazinyl-3-oxopropoxy)ethoxy]ethoxy]ethyl]pentanamide
Molecular FormulaC19H35N5O6S
Molecular Weight461.6
XLogP-1.9
Topological Polar Surface Area178
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count17
Heavy Atom Count31
Formal Charge0
Complexity570
SMILES
C1[C@H]2[C@@H]([C@@H](S1)CCCCC(=O)NCCOCCOCCOCCC(=O)NN)NC(=O)N2
InChI
InChI=1S/C19H35N5O6S/c20-24-17(26)5-7-28-9-11-30-12-10-29-8-6-21-16(25)4-2-1-3-15-18-14(13-31-15)22-19(27)23-18/h14-15,18H,1-13,20H2,(H,21,25)(H,24,26)(H2,22,23,27)/t14-,15-,18-/m0/s1
InChIKey
DLMSZDYSRRYIJV-MPGHIAIKSA-N
Chemical Structure
2D Structure
2D structure of Biotin-PEG3-hydrazide
CAS: 1381861-94-4
CID: 60146226
Formula: C19H35N5O6S
MW: 461.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight461.6
XLogP3-1.9
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count17
Exact Mass461.23080503
Monoisotopic Mass461.23080503
Topological Polar Surface Area178 Ų
Heavy Atom Count31
Formal Charge0
Complexity570
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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