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Cl-C6-PEG4-C3-COOH

CAT: 0804-HY-135306-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-135306-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Cl-C6-PEG4-C3-COOH is a PROTAC linker can be used in the synthesis of chloroalkane-containing PROTACs (HaloPROTACs) [1].
CAS Number
2127391-58-4
UNSPSC
12352211
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/cl-c6-peg4-c3-cooh.html
Purity
99.65
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C(O)CCCCCOCCOCCOCCOCCCCCCCl
Molecular Formula
C18H35ClO6
Molecular Weight
382.92
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
References & Citations
[1]Ottis P, et al. Assessing Different E3 Ligases for Small Molecule Induced Protein Ubiquitination and Degradation. ACS Chem Biol. 2017 Oct 20;12 (10) :2570-2578.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, protect from light)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
PEG Linkers

Chemical Information

Cl-C6-PEG4-C3-COOH
CAS Number2127391-58-4
PubChem CID145925692
IUPAC Name6-[2-[2-[2-(6-chlorohexoxy)ethoxy]ethoxy]ethoxy]hexanoic acid
Molecular FormulaC18H35ClO6
Molecular Weight382.9
XLogP2.2
Topological Polar Surface Area74.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count21
Heavy Atom Count25
Formal Charge0
Complexity278
SMILES
C(CCCCl)CCOCCOCCOCCOCCCCCC(=O)O
InChI
InChI=1S/C18H35ClO6/c19-9-5-1-2-6-10-22-12-14-24-16-17-25-15-13-23-11-7-3-4-8-18(20)21/h1-17H2,(H,20,21)
InChIKey
DQFXVBKFPVKFQX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cl-C6-PEG4-C3-COOH
CAS: 2127391-58-4
CID: 145925692
Formula: C18H35ClO6
MW: 382.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight382.9
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count21
Exact Mass382.2122165
Monoisotopic Mass382.2122165
Topological Polar Surface Area74.2 Ų
Heavy Atom Count25
Formal Charge0
Complexity278
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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