Setoperone
TL;DR: Setoperone (CAS 86487-64-1) is a chemical compound with molecular formula C21H24FN3O2S and molecular weight 401.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
Also Known As: Setoperone, Setoperona, Setoperonum, Setoperonum [Latin], 18F-fluorosetoperone
| Molecular Formula | C21H24FN3O2S |
|---|---|
| Molecular Weight | 401.16 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 78.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 401.15732 |
| Heavy Atoms | 28 |
| Complexity | 692.0 |
Chemical Identifiers
| CAS Number | 86487-64-1 |
|---|---|
| SMILES | CC1=C(C(=O)N2CCSC2=N1)CCN3CCC(CC3)C(=O)C4=CC=C(C=C4)F |
| InChIKey | RBGAHDDQSRBDOG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Setoperone (CAS 86487-64-1), with molecular formula C21H24FN3O2S and molecular weight 401.16 g/mol. IUPAC: 6-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
Chemical Property Profile of Setoperone
Property Insights of Setoperone
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Setoperone. The TPSA of 78.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Setoperone. Following Lipinski's Rule of Five, Setoperone 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 Setoperone?
The CAS number of Setoperone is 86487-64-1.
What is the molecular formula of Setoperone?
The molecular formula of Setoperone is C21H24FN3O2S.
What is the molecular weight of Setoperone?
The molecular weight of Setoperone is 401.16 g/mol.
Where can I buy Setoperone?
You can request a quote for Setoperone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Setoperone?
Yes, KEHONG BIO provides custom synthesis services for Setoperone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.