Pentaethylene glycol di(p-toluenesulfonate) - CAS 41024-91-3
Catalog: |
BB024754 |
Product Name: |
Pentaethylene glycol di(p-toluenesulfonate) |
CAS: |
41024-91-3 |
Synonyms: |
Pentaethylene glycol di-p-toluenesulfonate; 3,6,9,12-tetraoxatetradecane-1,14-diyl bis(4-methylbenzenesulfonate); Penta(ethylene glycol) bis(p-toluenesulfonate); Tos-PEG6-Tos; Tos-PEG5-Tos; Pentaethylene glycol ditosylate; NSC625453; Bis(p-toluenesulfonyl)pentaethylene glycol; 14-(((4-Methylphenyl)sulfonyl)oxy)-3,6,9,12-tetraoxatetradec-1-yl 4-methylbenzenesulfonate; 3,6,9,12-Tetraoxatetradecane-1,14-diyl ditosylate |
IUPAC Name: | 2-[2-[2-[2-[2-(4-methylphenyl)sulfonyloxyethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-methylbenzenesulfonate |
Description: | Pentaethylene glycol di(p-toluenesulfonate) is a polyethylene glycol (PEG)-based PROTAC linker that can be used in the synthesis of a series of PROTACs. |
Molecular Weight: | 546.65 |
Molecular Formula: | C24H34O10S2 |
Canonical SMILES: | CC1=CC=C(C=C1)S(=O)(=O)OCCOCCOCCOCCOCCOS(=O)(=O)C2=CC=C(C=C2)C |
InChI: | InChI=1S/C24H34O10S2/c1-21-3-7-23(8-4-21)35(25,26)33-19-17-31-15-13-29-11-12-30-14-16-32-18-20-34-36(27,28)24-9-5-22(2)6-10-24/h3-10H,11-20H2,1-2H3 |
InChI Key: | BUHGDYPBQWWWQS-UHFFFAOYSA-N |
Boiling Point: | 661.4±55.0°C (Predicted) |
Purity: | ≥95% |
Density: | 1.26 g/mL at 25°C |
Solubility: | Soluble in DMSO |
Appearance: | Colorless to yellow liquid |
Storage: | Store at 2-8°C |
MDL: | MFCD00012204 |
LogP: | 4.64220 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
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Complexity: | 694 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 546.15933962 |
Formal Charge: | 0 |
Heavy Atom Count: | 36 |
Hydrogen Bond Acceptor Count: | 10 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 546.15933962 |
Rotatable Bond Count: | 19 |
Topological Polar Surface Area: | 140 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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