9-Oxo-9H-thioxanthene-3-carboxylic acid 10,10-dioxide
TL;DR: 9-Oxo-9H-thioxanthene-3-carboxylic acid 10,10-dioxide (CAS 51762-52-8) is a chemical compound with molecular formula C14H8O5S and molecular weight 288.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9,10,10-trioxothioxanthene-3-carboxylic acid
Also Known As: 9-Oxo-9H-thioxanthene-3-carboxylic acid 10,10-dioxide, ChemDiv3_000179, 3-carboxy-thioxanthone-10,10-dioxide, 9,10,10-trioxothioxanthene-3-carboxylic acid, 1-(4-methoxybenzoyl)piperazine
| Molecular Formula | C14H8O5S |
|---|---|
| Molecular Weight | 288.01 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 96.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 288.00925 |
| Heavy Atoms | 20 |
| Complexity | 532.0 |
Chemical Identifiers
| CAS Number | 51762-52-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C3=C(S2(=O)=O)C=C(C=C3)C(=O)O |
| InChIKey | KTMTUGYSHWKLNN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
9-Oxo-9H-thioxanthene-3-carboxylic acid 10,10-dioxide (CAS 51762-52-8), with molecular formula C14H8O5S and molecular weight 288.01 g/mol. IUPAC: 9,10,10-trioxothioxanthene-3-carboxylic acid.
Chemical Property Profile of 9-Oxo-9H-thioxanthene-3-carboxylic acid 10,10-dioxide
Property Insights of 9-Oxo-9H-thioxanthene-3-carboxylic acid 10,10-dioxide
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-Oxo-9H-thioxanthene-3-carboxylic acid 10,10-dioxide. The TPSA of 96.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-Oxo-9H-thioxanthene-3-carboxylic acid 10,10-dioxide. Following Lipinski's Rule of Five, 9-Oxo-9H-thioxanthene-3-carboxylic acid 10,10-dioxide has 1 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 9-Oxo-9H-thioxanthene-3-carboxylic acid 10,10-dioxide?
The CAS number of 9-Oxo-9H-thioxanthene-3-carboxylic acid 10,10-dioxide is 51762-52-8.
What is the molecular formula of 9-Oxo-9H-thioxanthene-3-carboxylic acid 10,10-dioxide?
The molecular formula of 9-Oxo-9H-thioxanthene-3-carboxylic acid 10,10-dioxide is C14H8O5S.
What is the molecular weight of 9-Oxo-9H-thioxanthene-3-carboxylic acid 10,10-dioxide?
The molecular weight of 9-Oxo-9H-thioxanthene-3-carboxylic acid 10,10-dioxide is 288.01 g/mol.
Where can I buy 9-Oxo-9H-thioxanthene-3-carboxylic acid 10,10-dioxide?
You can request a quote for 9-Oxo-9H-thioxanthene-3-carboxylic acid 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 9-Oxo-9H-thioxanthene-3-carboxylic acid 10,10-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 9-Oxo-9H-thioxanthene-3-carboxylic acid 10,10-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.