| CAS Number | 1835705-52-6 |
| Catalog Number | AG01EO7V(AGN-PC-3H4699) |
| Chemical Name | Boc-C5-O-C5-O-C6-Cl |
| IUPAC Name | tert-butyl 6-[5-(6-chlorohexoxy)pentoxy]hexanoate |
| InChI | InChI=1S/C21H41ClO4/c1-21(2,3)26-20(23)14-8-6-11-17-25-19-13-7-12-18-24-16-10-5-4-9-15-22/h4-19H2,1-3H3 |
| InChI Key | BCFCLXINSZPNKH-UHFFFAOYSA-N |
| MDL Number | MFCD31715416 |
| Molecular Formula | C21H41ClO4 |
| Molecular Weight | 393.0008 |
| SMILES | C(OC(C)(C)C)(=O)CCCCCOCCCCCOCCCCCCCl |
| Synonyms | PROTAC Linker 2,
Boc-C5-O-C5-O-C6-Cl,
1835705-52-6,
SCHEMBL18804554,
HY-108372,
CS-0028495,
tert-Butyl 6-((5-((6-chlorohexyl)oxy)pentyl)oxy)hexanoate,
|
| Complexity | 316 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 392.269338g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 393g/mol |
| Monoisotopic Mass | 392.269338g/mol |
| Rotatable Bond Count | 20 |
| Topological Polar Surface Area | 44.8Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number