Pyrazolone T
TL;DR: Pyrazolone T (CAS 118-47-8) is a chemical compound with molecular formula C10H8N2O6S and molecular weight 284.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-oxo-1-(4-sulfophenyl)-4H-pyrazole-3-carboxylic acid
Also Known As: Pyrazolone T, 5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylic acid, 1-(4'-SULFOPHENYL)-3-CARBOXY-5-PYRAZOLONE, 5-oxo-1-(4-sulfophenyl)-4H-pyrazole-3-carboxylic acid, Tox21_302220
| Molecular Formula | C10H8N2O6S |
|---|---|
| Molecular Weight | 284.01 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 133.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 284.0103 |
| Heavy Atoms | 19 |
| Complexity | 527.0 |
Chemical Identifiers
| CAS Number | 118-47-8 |
|---|---|
| SMILES | C1C(=NN(C1=O)C2=CC=C(C=C2)S(=O)(=O)O)C(=O)O |
| InChIKey | TYCNXOAPQGVAQU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pyrazolone T (CAS 118-47-8), with molecular formula C10H8N2O6S and molecular weight 284.01 g/mol. IUPAC: 5-oxo-1-(4-sulfophenyl)-4H-pyrazole-3-carboxylic acid.
Chemical Property Profile of Pyrazolone T
Property Insights of Pyrazolone T
The XLogP value of -0.3 indicates that Pyrazolone T is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyrazolone T. Following Lipinski's Rule of Five, Pyrazolone T has 2 hydrogen bond donor(s) and 7 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 Pyrazolone T?
The CAS number of Pyrazolone T is 118-47-8.
What is the molecular formula of Pyrazolone T?
The molecular formula of Pyrazolone T is C10H8N2O6S.
What is the molecular weight of Pyrazolone T?
The molecular weight of Pyrazolone T is 284.01 g/mol.
Where can I buy Pyrazolone T?
You can request a quote for Pyrazolone T directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyrazolone T?
Yes, KEHONG BIO provides custom synthesis services for Pyrazolone T and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.