Tiospirone hydrochloride
TL;DR: Tiospirone hydrochloride (CAS 87691-92-7) is a chemical compound with molecular formula C24H33ClN4O2S and molecular weight 476.20 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;hydrochloride
Also Known As: Tiospirone hydrochloride, Tiospirone HCl, Tiaspirone hydrochloride, Tiospirone hydrochloride [USAN], Tiospirone (hydrochloride)
| Molecular Formula | C24H33ClN4O2S |
|---|---|
| Molecular Weight | 476.20 g/mol |
| LogP | 4.33 |
| Topological Polar Surface Area | 85.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 476.20126 |
| Heavy Atoms | 32 |
| Complexity | 640.0 |
Chemical Identifiers
| CAS Number | 87691-92-7 |
|---|---|
| SMILES | C1CCC2(C1)CC(=O)N(C(=O)C2)CCCCN3CCN(CC3)C4=NSC5=CC=CC=C54.Cl |
| InChIKey | RYAWYTKDKQCORF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tiospirone hydrochloride (CAS 87691-92-7), with molecular formula C24H33ClN4O2S and molecular weight 476.20 g/mol. IUPAC: 8-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-8-azaspiro[4.5]decane-7,9-dione;hydrochloride.
Chemical Property Profile of Tiospirone hydrochloride
Property Insights of Tiospirone hydrochloride
The XLogP value of 4.33 indicates that Tiospirone hydrochloride 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 hydrochloride. Following Lipinski's Rule of Five, Tiospirone hydrochloride has 1 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 hydrochloride?
The CAS number of Tiospirone hydrochloride is 87691-92-7.
What is the molecular formula of Tiospirone hydrochloride?
The molecular formula of Tiospirone hydrochloride is C24H33ClN4O2S.
What is the molecular weight of Tiospirone hydrochloride?
The molecular weight of Tiospirone hydrochloride is 476.20 g/mol.
Where can I buy Tiospirone hydrochloride?
You can request a quote for Tiospirone hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tiospirone hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Tiospirone hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.