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Bromo-PEG1-acid

CAT: 0804-HY-130425-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-130425-01Size:100 mg
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Description
Bromo-PEG1-acid is a PEG-based PROTAC linker can be used in the synthesis of PROTACs[1].
CAS Number
1393330-33-0
UNSPSC
12352211
Hazard Statement
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/bromo-peg1-acid.html
Purity
98.0
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C(O)CCOCCBr
Molecular Formula
C5H9BrO3
Molecular Weight
197.03
Precautions
H315, H319, H335
References & Citations
[1]Christopher Michael Semko, et al. C26-linked rapamycin analogs as mtor inhibitors. WO2019212991A1.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C (Powder, protect from light)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
PEG Linkers

Chemical Information

Bromo-PEG1-Acid
CAS Number1393330-33-0
PubChem CID60146230
IUPAC Name3-(2-bromoethoxy)propanoic acid
Molecular FormulaC5H9BrO3
Molecular Weight197.03
XLogP0.3
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count9
Formal Charge0
Complexity84
SMILES
C(COCCBr)C(=O)O
InChI
InChI=1S/C5H9BrO3/c6-2-4-9-3-1-5(7)8/h1-4H2,(H,7,8)
InChIKey
REBYHCQUFPLTTH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bromo-PEG1-Acid
CAS: 1393330-33-0
CID: 60146230
Formula: C5H9BrO3
MW: 197.03
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight197.03
XLogP30.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass195.97351
Monoisotopic Mass195.97351
Topological Polar Surface Area46.5 Ų
Heavy Atom Count9
Formal Charge0
Complexity84.3
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

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