1-(2,5-Dichloro-4-sulfophenyl)-5-pyrazolone-3-carboxylic acid
TL;DR: 1-(2,5-Dichloro-4-sulfophenyl)-5-pyrazolone-3-carboxylic acid (CAS 107349-88-2) is a chemical compound with molecular formula C10H6Cl2N2O6S and molecular weight 351.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,5-dichloro-4-sulfophenyl)-5-oxo-4H-pyrazole-3-carboxylic acid
Also Known As: 1-(2,5-dichloro-4-sulfophenyl)-5-oxo-4,5-dihydro-1h-pyrazole-3-carboxylic acid, 1-(2,5-dichloro-4-sulfophenyl)-5-oxo-4H-pyrazole-3-carboxylic acid, 1-(2,5-dichloro-4-sulfophenyl)-5-pyrazolone-3-carboxylic acid, 1-(2:5-Dichloro-4-Sulphophenyl) -3- Methyl -5- Pyrazolone, 1-(2,5-Dichloro-4-Sulfo-Phenyl)-5-Oxo-4,5-Dihydro-1H-Pyrazole-3-Carboxylic Acid
| Molecular Formula | C10H6Cl2N2O6S |
|---|---|
| Molecular Weight | 351.93 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 133.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 351.93237 |
| Heavy Atoms | 21 |
| Complexity | 601.0 |
Chemical Identifiers
| CAS Number | 107349-88-2 |
|---|---|
| SMILES | C1C(=NN(C1=O)C2=CC(=C(C=C2Cl)S(=O)(=O)O)Cl)C(=O)O |
| InChIKey | YVFMPXVMGPZCRS-UHFFFAOYSA-N |
Product Overview
1-(2,5-Dichloro-4-sulfophenyl)-5-pyrazolone-3-carboxylic acid (CAS 107349-88-2), with molecular formula C10H6Cl2N2O6S and molecular weight 351.93 g/mol. IUPAC: 1-(2,5-dichloro-4-sulfophenyl)-5-oxo-4H-pyrazole-3-carboxylic acid.
Chemical Property Profile of 1-(2,5-Dichloro-4-sulfophenyl)-5-pyrazolone-3-carboxylic acid
Property Insights of 1-(2,5-Dichloro-4-sulfophenyl)-5-pyrazolone-3-carboxylic acid
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2,5-Dichloro-4-sulfophenyl)-5-pyrazolone-3-carboxylic acid. The TPSA of 133.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2,5-Dichloro-4-sulfophenyl)-5-pyrazolone-3-carboxylic acid. Following Lipinski's Rule of Five, 1-(2,5-Dichloro-4-sulfophenyl)-5-pyrazolone-3-carboxylic acid 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 1-(2,5-Dichloro-4-sulfophenyl)-5-pyrazolone-3-carboxylic acid?
The CAS number of 1-(2,5-Dichloro-4-sulfophenyl)-5-pyrazolone-3-carboxylic acid is 107349-88-2.
What is the molecular formula of 1-(2,5-Dichloro-4-sulfophenyl)-5-pyrazolone-3-carboxylic acid?
The molecular formula of 1-(2,5-Dichloro-4-sulfophenyl)-5-pyrazolone-3-carboxylic acid is C10H6Cl2N2O6S.
What is the molecular weight of 1-(2,5-Dichloro-4-sulfophenyl)-5-pyrazolone-3-carboxylic acid?
The molecular weight of 1-(2,5-Dichloro-4-sulfophenyl)-5-pyrazolone-3-carboxylic acid is 351.93 g/mol.
Where can I buy 1-(2,5-Dichloro-4-sulfophenyl)-5-pyrazolone-3-carboxylic acid?
You can request a quote for 1-(2,5-Dichloro-4-sulfophenyl)-5-pyrazolone-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-Dichloro-4-sulfophenyl)-5-pyrazolone-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,5-Dichloro-4-sulfophenyl)-5-pyrazolone-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.