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Fluorescein-PEG3-amine | CAS 1807539-04-3
| Catalog Number | F04-0015 |
| Category | Fluorescein FAM |
| Molecular Formula | C₂₉H₃₁N₃O₈S |
| Molecular Weight | 581.64 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
Fluorescein-PEG3-amine is a polyethylene glycol (PEG)-based PROTAC linker. Fluorescein-PEG3-amine can be used in the synthesis of a series of PROTACs.
Chemical Information
Product Specification
Computed Properties
| Synonyms | 1-(2-(2-(2-(2-Aminoethoxy)ethoxy)ethoxy)ethyl)-3-(3',6'-dihydroxy-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthen]-5-yl)thiourea; 1-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-3-(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)thiourea; 3-(2-{2-[2-(2-aminoethoxy)ethoxy]ethoxy}ethyl)-1-{3',6'-dihydroxy-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-5-yl}thiourea |
| Purity | 96% |
| IUPAC Name | 1-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethyl]-3-(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)thiourea |
| Canonical SMILES | C1=CC2=C(C=C1NC(=S)NCCOCCOCCOCCN)C(=O)OC23C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O |
| InChI | InChI=1S/C29H31N3O8S/c30-7-9-36-11-13-38-14-12-37-10-8-31-28(41)32-18-1-4-22-21(15-18)27(35)40-29(22)23-5-2-19(33)16-25(23)39-26-17-20(34)3-6-24(26)29/h1-6,15-17,33-34H,7-14,30H2,(H2,31,32,41) |
| InChIKey | SQJRQGZXMBEAHI-UHFFFAOYSA-N |
| Solubility | DMSO, DMF, DCM |
| Excitation | 494 |
| Emission | 517 |
| Storage | Please store the product under the recommended conditions in the Certificate of Analysis. |
| XLogP3 | 1.6 |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 12 |
| Exact Mass | 581.18318613 g/mol |
| Monoisotopic Mass | 581.18318613 g/mol |
| Topological Polar Surface Area | 186Ų |
| Heavy Atom Count | 41 |
| Formal Charge | 0 |
| Complexity | 857 |
| 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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