Hydroxy-PEG3-t-butyl ester - CAS 186020-66-6
Catalog: |
BB014268 |
Product Name: |
Hydroxy-PEG3-t-butyl ester |
CAS: |
186020-66-6 |
Synonyms: |
HO-PEG3-CH2CH2COOtBu; Hydroxy-PEG3-(CH2)2-Boc; OH-PEG3-TBA; OH-PEG3-CH2CH2COOtBu; HO-PEG3-t-butyl ester; tert-Butyl 12-hydroxy-4,7,10-trioxadodecanoate; 3-[2-[2-(2-Hydroxyethoxy)ethoxy]ethoxy]propionic acid tert-butyl ester; 12-Hydroxy-4,7,10-trioxadodecanoic Acid tert-Butyl Ester; 2-Methyl-2-propanyl 3-{2-[2-(2-hydroxyethoxy)ethoxy]ethoxy}propanoate; Propanoic acid, 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-, 1,1-dimethylethyl ester; tert-Butyl triethylene glycol-O-propionate |
Related CAS: | 1186025-29-5 (polymer) 892154-71-1 (polymer)
|
IUPAC Name: | tert-butyl 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propanoate |
Description: | Hydroxy-PEG3-(CH2)2-Boc is a uncleavable ADC linker used in the synthesis of antibody-drug conjugates (ADCs). |
Molecular Weight: | 278.34 |
Molecular Formula: | C13H26O6 |
Canonical SMILES: | CC(C)(C)OC(=O)CCOCCOCCOCCO |
InChI: | InChI=1S/C13H26O6/c1-13(2,3)19-12(15)4-6-16-8-10-18-11-9-17-7-5-14/h14H,4-11H2,1-3H3 |
InChI Key: | KSXVEOLRERRELV-UHFFFAOYSA-N |
Boiling Point: | 365.8±27.0°C (Predicted) |
Flash Point: | 125.2°C |
Purity: | ≥95% |
Density: | 1.052 g/mL at 20°C |
Solubility: | Soluble in DMSO (10 mm) |
Appearance: | Colorless to light yellow to light orange clear liquid |
Storage: | Store at 2-8°C |
LogP: | 0.76030 |
Vapor Pressure: | 7.78E-07mmHg at 25°C |
Publication Number | Title | Priority Date |
JP-2021006531-A | Cross-linked conjugate for conjugation of cell-binding molecules | 20200901 |
WO-2021207691-A1 | Phthalocyanine dye compounds, conjugates and methods of use thereof | 20200410 |
WO-2021193951-A1 | Sugar compound having polyethylene glycol chain, and precursor of antibody-drug complex | 20200326 |
CA-3108168-A1 | Conjugates of cell-binding molecules with cytotoxic agents | 20200205 |
EP-3862023-A1 | Conjugates of cell-binding molecules with cytotoxic agents | 20200205 |
Complexity: | 224 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 278.17293854 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 278.17293854 |
Rotatable Bond Count: | 13 |
Topological Polar Surface Area: | 74.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.1 |
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