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endo-BCN-PEG3-acid | CAS 1807501-82-1
| Catalog Number | R16-0017 |
| Category | BCN Reagents |
| Molecular Formula | C₂₀H₃₁NO₇ |
| Molecular Weight | 397.46 |
| Catalog Number | Size | Price | Quantity |
|---|---|---|---|
| R16-0017 | -- | -- |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
endo-BCN-PEG3-acid is a polyethylene glycol (PEG)-based PROTAC linker. endo-BCN-PEG3-acid can be used in the synthesis of a series of PROTACs.
Chemical Information
Product Specification
Computed Properties
| Synonyms | 1-(bicyclo[6.1.0]non-4-yn-9-yl)-3-oxo-2,7,10,13-tetraoxa-4-azahexadecan-16-oic acid; 3-[2-[2-[2-(9-bicyclo[6.1.0]non-4-ynylmethoxycarbonylamino)ethoxy]ethoxy]ethoxy]propanoic acid; 3-{2-[2-(2-{[({bicyclo[6.1.0]non-4-yn-9-yl}methoxy)carbonyl]amino}ethoxy)ethoxy]ethoxy}propanoic acid |
| Purity | 95% |
| IUPAC Name | 3-[2-[2-[2-(9-bicyclo[6.1.0]non-4-ynylmethoxycarbonylamino)ethoxy]ethoxy]ethoxy]propanoic acid |
| Canonical SMILES | C1CC2C(C2COC(=O)NCCOCCOCCOCCC(=O)O)CCC#C1 |
| InChI | InChI=1S/C20H31NO7/c22-19(23)7-9-25-11-13-27-14-12-26-10-8-21-20(24)28-15-18-16-5-3-1-2-4-6-17(16)18/h16-18H,3-15H2,(H,21,24)(H,22,23) |
| InChIKey | NRDCHHRLBMBFHZ-UHFFFAOYSA-N |
| Solubility | Water, DMSO, DCM, DMF |
| Storage | Please store the product under the recommended conditions in the Certificate of Analysis. |
| Signal | Warning |
| GHSHazardStatements | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
| Precautionary Statement Codes | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (The corresponding statement to each P-code can be found at the GHS Classification page.) |
| XLogP3 | 1.4 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 15 |
| Exact Mass | 397.21005233 g/mol |
| Monoisotopic Mass | 397.21005233 g/mol |
| Topological Polar Surface Area | 103Ų |
| Heavy Atom Count | 28 |
| Formal Charge | 0 |
| Complexity | 535 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
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