1-(2,5-Disulphophenyl)-4,5-dihydro-5-oxo-1H-pyrazole-3-carboxylic acid
TL;DR: 1-(2,5-Disulphophenyl)-4,5-dihydro-5-oxo-1H-pyrazole-3-carboxylic acid (CAS 6411-56-9) is a chemical compound with molecular formula C10H8N2O9S2 and molecular weight 363.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,5-disulfophenyl)-5-oxo-4H-pyrazole-3-carboxylic acid
Also Known As: 1-(2,5-disulfophenyl)-5-oxo-4,5-dihydro-1h-pyrazole-3-carboxylic acid, 1-(2,5-Disulphophenyl)-4,5-dihydro-5-oxo-1H-pyrazole-3-carboxylic acid, 1-(2,5-DISULFOPHENYL)-4,5-DIHYDRO-5-OXO-1H-PYRAZOLE-3-CARBOXYLIC ACID, 1-4,5-dihydro-5-oxo-1h-pyrazole-3-carboxylicacid, 1- -4,5-dihydro-5-oxo-1H-pyrazole-3-carboxylicacid
| Molecular Formula | C10H8N2O9S2 |
|---|---|
| Molecular Weight | 363.97 g/mol |
| LogP | -1.6 |
| Topological Polar Surface Area | 195.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 363.96713 |
| Heavy Atoms | 23 |
| Complexity | 759.0 |
Chemical Identifiers
| CAS Number | 6411-56-9 |
|---|---|
| SMILES | C1C(=NN(C1=O)C2=C(C=CC(=C2)S(=O)(=O)O)S(=O)(=O)O)C(=O)O |
| InChIKey | ULKCUTGVHUHOEK-UHFFFAOYSA-N |
Product Overview
1-(2,5-Disulphophenyl)-4,5-dihydro-5-oxo-1H-pyrazole-3-carboxylic acid (CAS 6411-56-9), with molecular formula C10H8N2O9S2 and molecular weight 363.97 g/mol. IUPAC: 1-(2,5-disulfophenyl)-5-oxo-4H-pyrazole-3-carboxylic acid.
Chemical Property Profile of 1-(2,5-Disulphophenyl)-4,5-dihydro-5-oxo-1H-pyrazole-3-carboxylic acid
Property Insights of 1-(2,5-Disulphophenyl)-4,5-dihydro-5-oxo-1H-pyrazole-3-carboxylic acid
The XLogP value of -1.6 indicates that 1-(2,5-Disulphophenyl)-4,5-dihydro-5-oxo-1H-pyrazole-3-carboxylic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 195.0 Ų indicates high polarity, suggesting 1-(2,5-Disulphophenyl)-4,5-dihydro-5-oxo-1H-pyrazole-3-carboxylic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-(2,5-Disulphophenyl)-4,5-dihydro-5-oxo-1H-pyrazole-3-carboxylic acid has 3 hydrogen bond donor(s) and 10 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 1-(2,5-Disulphophenyl)-4,5-dihydro-5-oxo-1H-pyrazole-3-carboxylic acid?
The CAS number of 1-(2,5-Disulphophenyl)-4,5-dihydro-5-oxo-1H-pyrazole-3-carboxylic acid is 6411-56-9.
What is the molecular formula of 1-(2,5-Disulphophenyl)-4,5-dihydro-5-oxo-1H-pyrazole-3-carboxylic acid?
The molecular formula of 1-(2,5-Disulphophenyl)-4,5-dihydro-5-oxo-1H-pyrazole-3-carboxylic acid is C10H8N2O9S2.
What is the molecular weight of 1-(2,5-Disulphophenyl)-4,5-dihydro-5-oxo-1H-pyrazole-3-carboxylic acid?
The molecular weight of 1-(2,5-Disulphophenyl)-4,5-dihydro-5-oxo-1H-pyrazole-3-carboxylic acid is 363.97 g/mol.
Where can I buy 1-(2,5-Disulphophenyl)-4,5-dihydro-5-oxo-1H-pyrazole-3-carboxylic acid?
You can request a quote for 1-(2,5-Disulphophenyl)-4,5-dihydro-5-oxo-1H-pyrazole-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2,5-Disulphophenyl)-4,5-dihydro-5-oxo-1H-pyrazole-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,5-Disulphophenyl)-4,5-dihydro-5-oxo-1H-pyrazole-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.