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endo-BCN-PEG3-mal | CAS 2141976-33-0
| Catalog Number | R16-0033 |
| Category | BCN Reagents |
| Molecular Formula | C₂₆H₃₇N₃O₈ |
| Molecular Weight | 519.59 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
endo-BCN-PEG3-mal is a polyethylene glycol (PEG)-based PROTAC linker. endo-BCN-PEG3-mal can be used in the synthesis of a series of PROTACs.
Chemical Information
Product Specification
Computed Properties
| Synonyms | BCN-PEG3-Mal (endo) |
| Purity | >90% |
| IUPAC Name | [(1S,8R)-9-bicyclo[6.1.0]non-4-ynyl]methyl N-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethyl]carbamate |
| Canonical SMILES | C1CC2C(C2COC(=O)NCCOCCOCCOCCNC(=O)CCN3C(=O)C=CC3=O)CCC#C1 |
| InChI | InChI=1S/C26H37N3O8/c30-23(9-12-29-24(31)7-8-25(29)32)27-10-13-34-15-17-36-18-16-35-14-11-28-26(33)37-19-22-20-5-3-1-2-4-6-21(20)22/h7-8,20-22H,3-6,9-19H2,(H,27,30)(H,28,33)/t20-,21+,22? |
| InChIKey | ZZRUYTQNTVMKLG-CBQGHPETSA-N |
| Solubility | DCM, THF, Acetonitrile, DMF and DMSO |
| Appearance | Colorless liquid |
| Storage | Please store the product under the recommended conditions in the Certificate of Analysis. |
| XLogP3 | 0.4 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 18 |
| Exact Mass | 519.25806515 g/mol |
| Monoisotopic Mass | 519.25806515 g/mol |
| Topological Polar Surface Area | 133Ų |
| Heavy Atom Count | 37 |
| Formal Charge | 0 |
| Complexity | 857 |
| 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 |
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