Duoperone
TL;DR: Duoperone (CAS 62030-88-0) is a chemical compound with molecular formula C28H26F4N2OS and molecular weight 514.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-fluorophenyl)-[1-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperidin-4-yl]methanone
Also Known As: Duoperone, Duoperona, Duoperonum, Duoperone [INN], Duoperone?
| Molecular Formula | C28H26F4N2OS |
|---|---|
| Molecular Weight | 514.17 g/mol |
| LogP | 7.2 |
| Topological Polar Surface Area | 48.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 514.1702 |
| Heavy Atoms | 36 |
| Complexity | 736.0 |
Chemical Identifiers
| CAS Number | 62030-88-0 |
|---|---|
| SMILES | C1CN(CCC1C(=O)C2=CC=C(C=C2)F)CCCN3C4=CC=CC=C4SC5=C3C=C(C=C5)C(F)(F)F |
| InChIKey | XMUZRUCADGTCPX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Duoperone (CAS 62030-88-0), with molecular formula C28H26F4N2OS and molecular weight 514.17 g/mol. IUPAC: (4-fluorophenyl)-[1-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperidin-4-yl]methanone.
Chemical Property Profile of Duoperone
Property Insights of Duoperone
The XLogP value of 7.2 indicates that Duoperone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 48.9 Ų, Duoperone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Duoperone has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Duoperone?
The CAS number of Duoperone is 62030-88-0.
What is the molecular formula of Duoperone?
The molecular formula of Duoperone is C28H26F4N2OS.
What is the molecular weight of Duoperone?
The molecular weight of Duoperone is 514.17 g/mol.
Where can I buy Duoperone?
You can request a quote for Duoperone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Duoperone?
Yes, KEHONG BIO provides custom synthesis services for Duoperone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.