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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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