RefChem:1095789
(E)-but-2-enedioic acid;1-(3-chloro-8-fluorobenzo[b][1]benzothiepin-6-yl)-4-methylpiperazine
Also Known As: 1-(2-Chloro-8-fluorodibenzo(b,f)thiepin-10-yl)-4-methylpiperazine maleate|Piperazine, 1-(2-chloro-8-fluorodibenzo(b,f)thiepin-10-yl)-4-methyl-, (Z)-2-butenedioate (1:1)|(E)-but-2-enedioic acid; 1-(3-chloro-8-fluorobenzo[b][1]benzothiepin-6-yl)-4-methylpiperazine
CAS: 58722-77-3
| Molecular Formula | C23H22ClFN2O4S |
|---|---|
| Molecular Weight | 476.0973 g/mol |
| LogP | 4.401 |
| Topological Polar Surface Area | 81.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 476.0973 |
| Monoisotopic Mass | 476.0973 |
| Heavy Atoms | 32 |
| Complexity | 1065.6613 |
Chemical Identifiers
| CAS Number | 58722-77-3 |
|---|---|
| SMILES | CN1CCN(CC1)C2=CC3=C(C=CC(=C3)Cl)SC4=C2C=C(C=C4)F.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1095789 (CAS 58722-77-3), with molecular formula C23H22ClFN2O4S and molecular weight 476.0973 g/mol. IUPAC: (E)-but-2-enedioic acid;1-(3-chloro-8-fluorobenzo[b][1]benzothiepin-6-yl)-4-methylpiperazine.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
RefChem:1095789 is a custom synthesis product. We offer services from milligram to kilogram scale.
Request a Quote »