Br-PEG4-COOtBu - CAS 564476-32-0
Catalog: |
BB029362 |
Product Name: |
Br-PEG4-COOtBu |
CAS: |
564476-32-0 |
Synonyms: |
Bromo-PEG4-t-butyl ester; Br-PEG4-CH2CH2COOtBu; Bromo-PEG4-C2-Boc; 15-Bromo-4,7,10,13-tetraoxapentadecanoic acid tert-butyl ester; 3,6,9,12-Tetraoxapentadecan-15-oic acid, 1-bromo-, 1,1-dimethylethyl ester; 2-Methyl-2-propanyl 1-bromo-3,6,9,12-tetraoxapentadecan-15-oate; tert-butyl 1-bromo-3,6,9,12-tetraoxapentadecan-15-oate |
IUPAC Name: | tert-butyl 3-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethoxy]propanoate |
Description: | Br-PEG4-COOtBu is a PEG linker containing a bromide group and a t-butyl protected carboxyl group. The hydrophilic PEG spacer increases solubility in aqueous media. The bromide (Br) is a very good leaving group for nucleophilic substitution reactions. The t-butyl protected carboxyl group can be deprotected under acidic conditions. |
Molecular Weight: | 385.29 |
Molecular Formula: | C15H29BrO6 |
Canonical SMILES: | CC(C)(C)OC(=O)CCOCCOCCOCCOCCBr |
InChI: | InChI=1S/C15H29BrO6/c1-15(2,3)22-14(17)4-6-18-8-10-20-12-13-21-11-9-19-7-5-16/h4-13H2,1-3H3 |
InChI Key: | WLKHUFASPMJBHB-UHFFFAOYSA-N |
Boiling Point: | 415.8±35.0°C (Predicted) |
Purity: | ≥95% |
Density: | 1.210±0.06 g/cm3 (Predicted) |
Solubility: | Soluble in DCM, DMF, DMSO |
Appearance: | Pale Yellow or Colorless Oily Matter |
Storage: | Store at 2-8°C |
LogP: | 2.17950 |
Publication Number | Title | Priority Date |
WO-2021050612-A1 | Compositions and methods for the treatment of respiratory syncytial virus | 20190909 |
WO-2020252396-A1 | Compositions and methods for the treatment of respiratory syncytial virus | 20190613 |
US-2019336609-A1 | C40-, C28-, and C-32-Linked Rapamycin Analogs as mTOR Inhibitors | 20180501 |
WO-2019212990-A1 | C40-, c28-, and c-32-linked rapamycin analogs as mtor inhibitors | 20180501 |
WO-2019212991-A1 | C26-linked rapamycin analogs as mtor inhibitors | 20180501 |
Complexity: | 267 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 384.11475 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 384.11475 |
Rotatable Bond Count: | 16 |
Topological Polar Surface Area: | 63.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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