2-(Trifluoromethyl)-9H-thioxanthen-9-one
TL;DR: 2-(Trifluoromethyl)-9H-thioxanthen-9-one (CAS 1693-28-3) is a chemical compound with molecular formula C14H7F3OS and molecular weight 280.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(trifluoromethyl)thioxanthen-9-one
Also Known As: 2-(Trifluoromethyl)thioxanthen-9-one, 2-Trifluoromethyl thioxanthone, 2-Trifluoromethylthioxanthone, Pinosylvin, 2-(Trifluoromethyl)-9H-thioxanthen-9-one
| Molecular Formula | C14H7F3OS |
|---|---|
| Molecular Weight | 280.02 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 280.01697 |
| Heavy Atoms | 19 |
| Complexity | 368.0 |
Chemical Identifiers
| CAS Number | 1693-28-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C3=C(S2)C=CC(=C3)C(F)(F)F |
| InChIKey | NEWRXGDGZGIHIS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Trifluoromethyl)-9H-thioxanthen-9-one (CAS 1693-28-3), with molecular formula C14H7F3OS and molecular weight 280.02 g/mol. IUPAC: 2-(trifluoromethyl)thioxanthen-9-one.
Chemical Property Profile of 2-(Trifluoromethyl)-9H-thioxanthen-9-one
Property Insights of 2-(Trifluoromethyl)-9H-thioxanthen-9-one
The XLogP value of 4.9 indicates that 2-(Trifluoromethyl)-9H-thioxanthen-9-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.4 Ų, 2-(Trifluoromethyl)-9H-thioxanthen-9-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Trifluoromethyl)-9H-thioxanthen-9-one has 0 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 2-(Trifluoromethyl)-9H-thioxanthen-9-one?
The CAS number of 2-(Trifluoromethyl)-9H-thioxanthen-9-one is 1693-28-3.
What is the molecular formula of 2-(Trifluoromethyl)-9H-thioxanthen-9-one?
The molecular formula of 2-(Trifluoromethyl)-9H-thioxanthen-9-one is C14H7F3OS.
What is the molecular weight of 2-(Trifluoromethyl)-9H-thioxanthen-9-one?
The molecular weight of 2-(Trifluoromethyl)-9H-thioxanthen-9-one is 280.02 g/mol.
Where can I buy 2-(Trifluoromethyl)-9H-thioxanthen-9-one?
You can request a quote for 2-(Trifluoromethyl)-9H-thioxanthen-9-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Trifluoromethyl)-9H-thioxanthen-9-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(Trifluoromethyl)-9H-thioxanthen-9-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.