KWD2058
[3-[2-(tert-butylamino)-1-hydroxyethyl]-5-(2-methylpropanoyloxy)phenyl] 2-methylpropanoate;hydrobromide
Also Known As: KWD2058|1,3-Benzenediol, 5-(2-(t-butylamino)-1-hydroxyethyl)-, isobutyrate, hydrochloride|Propanoic acid, 2-methyl-, 5-(2-((1,1-dimethylethyl)amino)-1-hydroxyethyl)-1,3-phenylene ester, hydrobromide|5-(2-((1,1-Dimethylethyl)amino)-1-hydroxyethyl)-1,3-phenylene bisisobutyrate hydrobromide|5-[2-[ amino]-1-hydroxyethyl]-1,3-phenylenebisisobutyratehydrobromide|5-[2-[(1,1-DIMETHYLETHYL)AMINO]-1-HYDROXYETHYL]-1,3-PHENYLENE BISISOBUTYRATE HYDROBROMIDE|[3-[2-(tert-butylamino)-1-hydroxyethyl]-5-(2-methylpropanoyloxy)phenyl] 2-methylpropanoate hydrobromide|[3-[2-(tert-butylamino)-1-hydroxyethyl]-5-(2-methylpropanoyloxy)phenyl] 2-methylpropanoate,hydrobromide|257-756-1|5-[2-(tert-Butylamino)-1-hydroxyethyl]-1,3-phenylene bis(2-methylpropanoate)--hydrogen bromide (1/1)|Propanoic acid,2-methyl-, 5-[2-[(1,1-dimethylethyl)amino]-1-hydroxyethyl]-1,3-phenylene ester,hydrobromide (9CI)
| Molecular Formula | C20H32BrNO5 |
|---|---|
| Molecular Weight | 445.1464 g/mol |
| LogP | 3.8088 |
| Topological Polar Surface Area | 84.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 445.1464 |
| Monoisotopic Mass | 445.1464 |
| Heavy Atoms | 27 |
| Complexity | 439.0 |
Chemical Identifiers
| CAS Number | 52223-83-3 |
|---|---|
| SMILES | CC(C)C(=O)OC1=CC(=CC(=C1)C(CNC(C)(C)C)O)OC(=O)C(C)C.Br |
| InChIKey | BWZYYMJUBTWGSP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
KWD2058 (CAS 52223-83-3), with molecular formula C20H32BrNO5 and molecular weight 445.1464 g/mol. IUPAC: [3-[2-(tert-butylamino)-1-hydroxyethyl]-5-(2-methylpropanoyloxy)phenyl] 2-methylpropanoate;hydrobromide.