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5-endo-BCN-pentanoic acid | CAS 2364591-80-8
| Catalog Number | R16-0013 |
| Category | BCN Reagents |
| Molecular Formula | C₁₆H₂₃NO₄ |
| Molecular Weight | 293.36 |
* Please be kindly noted products are not for therapeutic use. We do not sell to patients.
Product Introduction
5-endo-BCN-pentanoic acid is a PROTAC linker, which is composed of alkyl chains. 5-endo-BCN-pentanoic acid can be used to synthesize a range of PROTACs.
Chemical Information
Product Specification
Computed Properties
| Synonyms | endo-BCN-pentanoic acid |
| Purity | 98% |
| IUPAC Name | 5-(9-bicyclo[6.1.0]non-4-ynylmethoxycarbonylamino)pentanoic acid |
| Canonical SMILES | C1CC2C(C2COC(=O)NCCCCC(=O)O)CCC#C1 |
| InChI | InChI=1S/C16H23NO4/c18-15(19)9-5-6-10-17-16(20)21-11-14-12-7-3-1-2-4-8-13(12)14/h12-14H,3-11H2,(H,17,20)(H,18,19) |
| InChIKey | SHBBGNJSLQPJLH-UHFFFAOYSA-N |
| Solubility | DMSO, DCM, DMF |
| Storage | Please store the product under the recommended conditions in the Certificate of Analysis. |
| XLogP3 | 2.5 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 8 |
| Exact Mass | 293.16270821 g/mol |
| Monoisotopic Mass | 293.16270821 g/mol |
| Topological Polar Surface Area | 75.6Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 430 |
| 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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