Spiperone
TL;DR: Spiperone (CAS 749-02-0) is a chemical compound with molecular formula C23H26FN3O2 and molecular weight 395.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[4-(4-fluorophenyl)-4-oxobutyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
Also Known As: spiperone, Spiropitan, Spiroperidol, Espiperona, Spiperonum
| Molecular Formula | C23H26FN3O2 |
|---|---|
| Molecular Weight | 395.20 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 52.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 395.2009 |
| Heavy Atoms | 29 |
| Complexity | 577.0 |
| Solubility | 50.1 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 749-02-0 |
|---|---|
| SMILES | C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)CCCC(=O)C4=CC=C(C=C4)F |
| InChIKey | DKGZKTPJOSAWFA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Spiperone (CAS 749-02-0), with molecular formula C23H26FN3O2 and molecular weight 395.20 g/mol. IUPAC: 8-[4-(4-fluorophenyl)-4-oxobutyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.
Chemical Property Profile of Spiperone
Property Insights of Spiperone
The XLogP value of 3.0 indicates that Spiperone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.7 Ų, Spiperone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Spiperone has 1 hydrogen bond donor(s) and 5 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 Spiperone?
The CAS number of Spiperone is 749-02-0.
What is the molecular formula of Spiperone?
The molecular formula of Spiperone is C23H26FN3O2.
What is the molecular weight of Spiperone?
The molecular weight of Spiperone is 395.20 g/mol.
Where can I buy Spiperone?
You can request a quote for Spiperone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Spiperone?
Yes, KEHONG BIO provides custom synthesis services for Spiperone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.