4-Amino-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylic acid
TL;DR: 4-Amino-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylic acid (CAS 2508-84-1) is a chemical compound with molecular formula C10H9N3O6S and molecular weight 299.0212 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-amino-5-oxo-1-(4-sulfophenyl)-4H-pyrazole-3-carboxylic acid
Also Known As: SCAOP, Emodin-1-O-beta-gentiobioside, 1-(4-sulfophenyl)-3-carboxy-4-amino-5-oxopyrazole, 4-Amino-5-oxo-1-(p-sulphophenyl)-2-pyrazoline-3-carboxylic acid, 4-amino-5-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazole-3-carboxylic acid
Technical Specifications
| Molecular Formula | C10H9N3O6S |
| Molecular Weight | 299.0212 g/mol |
| XLogP | -2.9 |
| Topological Polar Surface Area (TPSA) | 159.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 299.0212 Da |
| Heavy Atoms | 20 |
| Complexity | 558.0 |
| SMILES | C1=CC(=CC=C1N2C(=O)C(C(=N2)C(=O)O)N)S(=O)(=O)O |
| InChIKey | VBKMDGXBOWYWHE-UHFFFAOYSA-N |
Chemical Property Profile of 4-Amino-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylic acid
Property Insights of 4-Amino-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylic acid
The XLogP value of -2.9 indicates that 4-Amino-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 159.0 Ų indicates high polarity, suggesting 4-Amino-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-Amino-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylic acid has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-Amino-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylic acid?
The CAS number of 4-Amino-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylic acid is 2508-84-1.
What is the molecular formula of 4-Amino-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylic acid?
The molecular formula of 4-Amino-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylic acid is C10H9N3O6S.
What is the molecular weight of 4-Amino-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylic acid?
The molecular weight of 4-Amino-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylic acid is 299.0212 g/mol.
Where can I buy 4-Amino-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylic acid?
You can request a quote for 4-Amino-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Amino-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 4-Amino-4,5-dihydro-5-oxo-1-(4-sulfophenyl)-1H-pyrazole-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.