(18F)Setoperone
TL;DR: (18F)Setoperone (CAS 113981-17-2) is a chemical compound with molecular formula C21H24FN3O2S and molecular weight 400.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[2-[4-(4-(18F)fluorobenzoyl)piperidin-1-yl]ethyl]-7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one
Also Known As: Setoperone, (18F)Setoperone, Setoperone F-18, [18F]Setoperone, J3.355.527J
| Molecular Formula | C21H24FN3O2S |
|---|---|
| Molecular Weight | 400.16 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 | 400.15985 |
| Heavy Atoms | 28 |
| Complexity | 692.0 |
Chemical Identifiers
| CAS Number | 113981-17-2 |
|---|---|
| SMILES | CC1=C(C(=O)N2CCSC2=N1)CCN3CCC(CC3)C(=O)C4=CC=C(C=C4)[18F] |
| InChIKey | RBGAHDDQSRBDOG-KVTPGWOSSA-N |
Product Overview
(18F)Setoperone (CAS 113981-17-2), with molecular formula C21H24FN3O2S and molecular weight 400.16 g/mol. IUPAC: 6-[2-[4-(4-(18F)fluorobenzoyl)piperidin-1-yl]ethyl]-7-methyl-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-5-one.
Chemical Property Profile of (18F)Setoperone
Property Insights of (18F)Setoperone
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (18F)Setoperone. The TPSA of 78.3 Ų falls within the moderate polarity range, balancing permeability and solubility for (18F)Setoperone. Following Lipinski's Rule of Five, (18F)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 (18F)Setoperone?
The CAS number of (18F)Setoperone is 113981-17-2.
What is the molecular formula of (18F)Setoperone?
The molecular formula of (18F)Setoperone is C21H24FN3O2S.
What is the molecular weight of (18F)Setoperone?
The molecular weight of (18F)Setoperone is 400.16 g/mol.
Where can I buy (18F)Setoperone?
You can request a quote for (18F)Setoperone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (18F)Setoperone?
Yes, KEHONG BIO provides custom synthesis services for (18F)Setoperone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.