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endo-BCN-PEG2-acid | CAS 1993134-72-7
| Catalog Number | R16-0018 |
| Category | BCN Reagents |
| Molecular Formula | C₁₈H₂₇NO₆ |
| Molecular Weight | 353.41 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
endo-BCN-PEG2-acid is a polyethylene glycol (PEG)-based PROTAC linker. endo-BCN-PEG2-acid can be used in the synthesis of a series of PROTACs.
Chemical Information
Product Specification
Computed Properties
Patents
| Synonyms | 3-(2-{2-[({[(1R,8S,9S)-bicyclo[6.1.0]non-4-yn-9-yl]methoxy}carbonyl)amino]ethoxy}ethoxy)propanoic acid; 3-[2-[2-[[(1R,8S)-9-bicyclo[6.1.0]non-4-ynyl]methoxycarbonylamino]ethoxy]ethoxy]propanoic acid |
| Purity | 95% |
| IUPAC Name | 3-[2-[2-[[(1S,8R)-9-bicyclo[6.1.0]non-4-ynyl]methoxycarbonylamino]ethoxy]ethoxy]propanoic acid |
| Canonical SMILES | C1CC2C(C2COC(=O)NCCOCCOCCC(=O)O)CCC#C1 |
| InChI | InChI=1S/C18H27NO6/c20-17(21)7-9-23-11-12-24-10-8-19-18(22)25-13-16-14-5-3-1-2-4-6-15(14)16/h14-16H,3-13H2,(H,19,22)(H,20,21)/t14-,15+,16? |
| InChIKey | IAUAMLUNAMJRHF-XYPWUTKMSA-N |
| Solubility | DMSO, DCM, DMF |
| Storage | Please store the product under the recommended conditions in the Certificate of Analysis. |
| XLogP3 | 1.5 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 12 |
| Exact Mass | 353.18383758 g/mol |
| Monoisotopic Mass | 353.18383758 g/mol |
| Topological Polar Surface Area | 94.1Ų |
| Heavy Atom Count | 25 |
| Formal Charge | 0 |
| Complexity | 490 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
| Publication Number | Title | Priority Date |
|---|---|---|
| US-2022074930-A1 | Intra-droplet surface engineering to capture a molecular target | 2016-04-05 |
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