RefChem:1095925
(E)-but-2-enedioic acid;1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-[(4-methoxyphenyl)methyl]piperazine
Also Known As: Piperazine, 1-(8-chloro-10,11-dihydrodibenzo(b,f)thiepin-10-yl)-4-((4-methoxyphenyl)methyl)-, (Z)-2-butenedioate (1:1)|(E)-but-2-enedioic acid; 1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-[(4-methoxyphenyl)methyl]piperazine
CAS: 23402-08-6
| Molecular Formula | C30H31ClN2O5S |
|---|---|
| Molecular Weight | 566.16425 g/mol |
| LogP | 5.6266 |
| Topological Polar Surface Area | 90.31 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 566.16425 |
| Monoisotopic Mass | 566.16425 |
| Heavy Atoms | 39 |
| Complexity | 1307.1829 |
Chemical Identifiers
| CAS Number | 23402-08-6 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CN2CCN(CC2)C3CC4=CC=CC=C4SC5=C3C=C(C=C5)Cl.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1095925 (CAS 23402-08-6), with molecular formula C30H31ClN2O5S and molecular weight 566.16425 g/mol. IUPAC: (E)-but-2-enedioic acid;1-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-4-[(4-methoxyphenyl)methyl]piperazine.
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:1095925 is a custom synthesis product. We offer services from milligram to kilogram scale.
Request a Quote »