2,4-Diethylthioxanthone
TL;DR: 2,4-Diethylthioxanthone (CAS 82799-44-8) is a chemical compound with molecular formula C17H16OS and molecular weight 268.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-diethylthioxanthen-9-one
Also Known As: 2,4-Diethyl-9H-thioxanthen-9-one, 2,4-Diethylthioxanthen-9-one, DETX, Vindoline, 2,4-DIETHYLTHIOXANTHONE
| Molecular Formula | C17H16OS |
|---|---|
| Molecular Weight | 268.09 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 268.0922 |
| Heavy Atoms | 19 |
| Complexity | 340.0 |
Chemical Identifiers
| CAS Number | 82799-44-8 |
|---|---|
| SMILES | CCC1=CC(=C2C(=C1)C(=O)C3=CC=CC=C3S2)CC |
| InChIKey | BTJPUDCSZVCXFQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4-Diethylthioxanthone (CAS 82799-44-8), with molecular formula C17H16OS and molecular weight 268.09 g/mol. IUPAC: 2,4-diethylthioxanthen-9-one.
Chemical Property Profile of 2,4-Diethylthioxanthone
Property Insights of 2,4-Diethylthioxanthone
The XLogP value of 5.1 indicates that 2,4-Diethylthioxanthone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.4 Ų, 2,4-Diethylthioxanthone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Diethylthioxanthone has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,4-Diethylthioxanthone?
The CAS number of 2,4-Diethylthioxanthone is 82799-44-8.
What is the molecular formula of 2,4-Diethylthioxanthone?
The molecular formula of 2,4-Diethylthioxanthone is C17H16OS.
What is the molecular weight of 2,4-Diethylthioxanthone?
The molecular weight of 2,4-Diethylthioxanthone is 268.09 g/mol.
Where can I buy 2,4-Diethylthioxanthone?
You can request a quote for 2,4-Diethylthioxanthone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Diethylthioxanthone?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Diethylthioxanthone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.