Thioxanthen-9-one 10,10-dioxide
TL;DR: Thioxanthen-9-one 10,10-dioxide (CAS 36594-52-2) is a chemical compound with molecular formula C13H8O3S and molecular weight 244.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10,10-dioxothioxanthen-9-one
Also Known As: Thioxanthen-9-one 10,10-dioxide, 10,10-dioxothioxanthen-9-one, Thioxanthone S,S-dioxide, thioxanthone-10,10-dioxide, Thioxanthene 10,10-dioxide
| Molecular Formula | C13H8O3S |
|---|---|
| Molecular Weight | 244.02 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 59.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 244.01941 |
| Heavy Atoms | 17 |
| Complexity | 388.0 |
Chemical Identifiers
| CAS Number | 36594-52-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C3=CC=CC=C3S2(=O)=O |
| InChIKey | DRIRMYPZOAOUPR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Thioxanthen-9-one 10,10-dioxide (CAS 36594-52-2), with molecular formula C13H8O3S and molecular weight 244.02 g/mol. IUPAC: 10,10-dioxothioxanthen-9-one.
Chemical Property Profile of Thioxanthen-9-one 10,10-dioxide
Property Insights of Thioxanthen-9-one 10,10-dioxide
The XLogP value of 3.2 indicates that Thioxanthen-9-one 10,10-dioxide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.6 Ų, Thioxanthen-9-one 10,10-dioxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Thioxanthen-9-one 10,10-dioxide has 0 hydrogen bond donor(s) and 3 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 Thioxanthen-9-one 10,10-dioxide?
The CAS number of Thioxanthen-9-one 10,10-dioxide is 36594-52-2.
What is the molecular formula of Thioxanthen-9-one 10,10-dioxide?
The molecular formula of Thioxanthen-9-one 10,10-dioxide is C13H8O3S.
What is the molecular weight of Thioxanthen-9-one 10,10-dioxide?
The molecular weight of Thioxanthen-9-one 10,10-dioxide is 244.02 g/mol.
Where can I buy Thioxanthen-9-one 10,10-dioxide?
You can request a quote for Thioxanthen-9-one 10,10-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Thioxanthen-9-one 10,10-dioxide?
Yes, KEHONG BIO provides custom synthesis services for Thioxanthen-9-one 10,10-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.