3,6,9,12-Tetraoxapentadec-14-yn-1-ol

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3,6,9,12-Tetraoxapentadec-14-yn-1-ol

3,6,9,12-Tetraoxapentadec-14-yn-1-ol | 87450-10-0

Catelog Number R01-0191
Category Alkynes
Molecular Formula C₁₁H₂₀O₅
Molecular Weight 232.27
Catalog Number Size Price Quantity
R01-0191 -- $--

Product Introduction

3,6,9,12-Tetraoxapentadec-14-yn-1-ol is a polyethylene glycol (PEG)-based PROTAC linker that can be used in the synthesis of a series of PROTACs.

Chemical Information

Related CAS 32199-97-6 (polymer)
Synonyms Propargyl-PEG5-alcohol; HC≡C-CH2-PEG4-OH; Propyne-PEG4-OH; Propargyl-PEG4-OH; 3,6,9,12-Tetraoxa-14-pentadecyne-1-ol; 15-hydroxy-4,7,10,13-tetraoxapentadec-1-yne
Purity >97%
IUPAC Name 2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethanol
Canonical SMILES C#CCOCCOCCOCCOCCO
InChI InChI=1S/C11H20O5/c1-2-4-13-6-8-15-10-11-16-9-7-14-5-3-12/h1,12H,3-11H2
InChI Key WQMJFCWQBPUZCK-UHFFFAOYSA-N
Solubility Soluble in DMSO
Density 1.071±0.06 g/cm3 (Predicted)
Appearance Colorless or Light Yellowish Liquid
Boiling Point 324.4±32.0 °C at 760 mmHg

Product Specification

Storage Store at 2-8°C for short term (days to weeks) or -20°C for long term (months to years)
Signal Warning
GHS Hazard Statements H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (The corresponding statement to each P-code can be found at the GHS Classification page.)

Computed Properties

XLogP3 -0.9
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 12
Exact Mass 232.13107373 g/mol
Monoisotopic Mass 232.13107373 g/mol
Topological Polar Surface Area 57.2Ų
Heavy Atom Count 16
Formal Charge 0
Complexity 175
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes

Patents

Publication NumberTitlePriority Date
WO-2022190915-A1 Novel compound or salt thereof, and antitumor activator containing same as active ingredient 2021-03-10
WO-2022150726-A1 Hypoimmunogenic biotherapeutics 2021-01-11
WO-2021018018-A1 Degradation of bruton's tyrosine kinase (btk) by conjugation of btk inidbitors with e3 ligase ligand and methods of use 2019-07-26
US-2022281876-A1 Degradation of bruton's tyrosine kinase (btk) by conjugation of btk inhibitors with e3 ligase ligand and methods of use 2019-07-26
WO-2021011913-A1 Tau-protein targeting compounds and associated methods of use 2019-07-17
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