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BDP FL-PEG5-propargyl | CAS 2093197-93-2
| Catalog Number | F01-0232 |
| Category | BODIPY |
| Molecular Formula | C₂₇H₃₈BF₂N₃O₆ |
| Molecular Weight | 549.41 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
BDP FL-PEG5-propargyl is a polyethylene glycol (PEG)-based PROTAC linker. BDP FL-PEG5-propargyl can be used in the synthesis of a series of PROTACs.
Chemical Information
Product Specification
Computed Properties
| Synonyms | BDPFL-PEG5-propargyl; 3-(5,5-difluoro-7,9-dimethyl-5H-5l4,6l4-dipyrrolo[1,2-c:2',1'-f][1,3,2]diazaborinin-3-yl)-N-(3,6,9,12,15-pentaoxaoctadec-17-yn-1-yl)propanamide |
| Purity | 98% |
| IUPAC Name | 3-(2,2-difluoro-10,12-dimethyl-3-aza-1-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-1(12),4,6,8,10-pentaen-4-yl)-N-[2-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]propanamide |
| Canonical SMILES | [B-]1(N2C(=CC=C2CCC(=O)NCCOCCOCCOCCOCCOCC#C)C=C3[N+]1=C(C=C3C)C)(F)F |
| InChI | InChI=1S/C27H38BF2N3O6/c1-4-10-35-12-14-37-16-18-39-19-17-38-15-13-36-11-9-31-27(34)8-7-24-5-6-25-21-26-22(2)20-23(3)32(26)28(29,30)33(24)25/h1,5-6,20-21H,7-19H2,2-3H3,(H,31,34) |
| InChIKey | GPYLESDPNBDJRD-UHFFFAOYSA-N |
| Solubility | DMSO, DMF, DCM |
| Fluorescence Quantum Yield | 0.90 |
| Excitation | 503 |
| Emission | 509 |
| Storage | Please store the product under the recommended conditions in the Certificate of Analysis. |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 19 |
| Exact Mass | 549.2821724 g/mol |
| Monoisotopic Mass | 549.2821724 g/mol |
| Topological Polar Surface Area | 83.2Ų |
| Heavy Atom Count | 39 |
| Formal Charge | 0 |
| Complexity | 964 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| 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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