Tiospirone
TL;DR: Tiospirone (CAS 87691-91-6) is a chemical compound with molecular formula C24H32N4O2S and molecular weight 440.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione
Also Known As: tiaspirone, Tiospirona, Tiospironum, Tiospirone [INN], tiospyrone
| Molecular Formula | C24H32N4O2S |
|---|---|
| Molecular Weight | 440.22 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 85.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 440.2246 |
| Heavy Atoms | 31 |
| Complexity | 640.0 |
Chemical Identifiers
| CAS Number | 87691-91-6 |
|---|---|
| SMILES | C1CCC2(C1)CC(=O)N(C(=O)C2)CCCCN3CCN(CC3)C4=NSC5=CC=CC=C54 |
| InChIKey | ZFZPJDFBJFHYIV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tiospirone (CAS 87691-91-6), with molecular formula C24H32N4O2S and molecular weight 440.22 g/mol. IUPAC: 8-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione.
Chemical Property Profile of Tiospirone
Property Insights of Tiospirone
The XLogP value of 4.3 indicates that Tiospirone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Tiospirone. Following Lipinski's Rule of Five, Tiospirone has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Tiospirone?
The CAS number of Tiospirone is 87691-91-6.
What is the molecular formula of Tiospirone?
The molecular formula of Tiospirone is C24H32N4O2S.
What is the molecular weight of Tiospirone?
The molecular weight of Tiospirone is 440.22 g/mol.
Where can I buy Tiospirone?
You can request a quote for Tiospirone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tiospirone?
Yes, KEHONG BIO provides custom synthesis services for Tiospirone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.