9-Oxo-9H-thioxanthene-4-carboxylic acid
TL;DR: 9-Oxo-9H-thioxanthene-4-carboxylic acid (CAS 51762-56-2) is a chemical compound with molecular formula C14H8O3S and molecular weight 256.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-oxothioxanthene-4-carboxylic acid
Also Known As: 9-Oxo-9H-thioxanthene-4-carboxylic acid, 9-oxothioxanthene-4-carboxylic acid, 9H-Thioxanthene-4-carboxylic acid, 9-oxo-, 9-oxo-4-thioxanthenecarboxylic acid, 9H-Thioxanthene-4-carboxylic acid,9-oxo-
| Molecular Formula | C14H8O3S |
|---|---|
| Molecular Weight | 256.02 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 79.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 256.0194 |
| Heavy Atoms | 18 |
| Complexity | 368.0 |
Chemical Identifiers
| CAS Number | 51762-56-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C3=C(S2)C(=CC=C3)C(=O)O |
| InChIKey | OTPIPHJWVKNZOA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
9-Oxo-9H-thioxanthene-4-carboxylic acid (CAS 51762-56-2), with molecular formula C14H8O3S and molecular weight 256.02 g/mol. IUPAC: 9-oxothioxanthene-4-carboxylic acid.
Chemical Property Profile of 9-Oxo-9H-thioxanthene-4-carboxylic acid
Property Insights of 9-Oxo-9H-thioxanthene-4-carboxylic acid
The XLogP value of 3.0 indicates that 9-Oxo-9H-thioxanthene-4-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 9-Oxo-9H-thioxanthene-4-carboxylic acid. Following Lipinski's Rule of Five, 9-Oxo-9H-thioxanthene-4-carboxylic acid has 1 hydrogen bond donor(s) and 4 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-4-carboxylic acid?
The CAS number of 9-Oxo-9H-thioxanthene-4-carboxylic acid is 51762-56-2.
What is the molecular formula of 9-Oxo-9H-thioxanthene-4-carboxylic acid?
The molecular formula of 9-Oxo-9H-thioxanthene-4-carboxylic acid is C14H8O3S.
What is the molecular weight of 9-Oxo-9H-thioxanthene-4-carboxylic acid?
The molecular weight of 9-Oxo-9H-thioxanthene-4-carboxylic acid is 256.02 g/mol.
Where can I buy 9-Oxo-9H-thioxanthene-4-carboxylic acid?
You can request a quote for 9-Oxo-9H-thioxanthene-4-carboxylic acid 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-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 9-Oxo-9H-thioxanthene-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.