2-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)benzene-1,4-disulphonic acid
TL;DR: 2-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)benzene-1,4-disulphonic acid (CAS 54817-63-9) is a chemical compound with molecular formula C10H10N2O7S2 and molecular weight 333.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzene-1,4-disulfonic acid
Also Known As: 2- benzene-1,4-disulphonicacid, 2-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)benzene-1,4-disulphonic acid, 2-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzene-1,4-disulfonic acid, 2-(3-methyl-5-oxo-4,5-dihydro-1h-pyrazol-1-yl)benzene-1,4-disulfonic acid, 3-Methyl-1-(2,5-disulfophenyl)-2-pyrazolin-5-one
| Molecular Formula | C10H10N2O7S2 |
|---|---|
| Molecular Weight | 333.99 g/mol |
| LogP | -1.2 |
| Topological Polar Surface Area | 158.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 333.99295 |
| Heavy Atoms | 21 |
| Complexity | 671.0 |
Chemical Identifiers
| CAS Number | 54817-63-9 |
|---|---|
| SMILES | CC1=NN(C(=O)C1)C2=C(C=CC(=C2)S(=O)(=O)O)S(=O)(=O)O |
| InChIKey | ZGXJVLAIEZQGHY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)benzene-1,4-disulphonic acid (CAS 54817-63-9), with molecular formula C10H10N2O7S2 and molecular weight 333.99 g/mol. IUPAC: 2-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzene-1,4-disulfonic acid.
Chemical Property Profile of 2-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)benzene-1,4-disulphonic acid
Property Insights of 2-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)benzene-1,4-disulphonic acid
The XLogP value of -1.2 indicates that 2-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)benzene-1,4-disulphonic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 158.0 Ų indicates high polarity, suggesting 2-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)benzene-1,4-disulphonic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)benzene-1,4-disulphonic acid has 2 hydrogen bond donor(s) and 8 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 2-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)benzene-1,4-disulphonic acid?
The CAS number of 2-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)benzene-1,4-disulphonic acid is 54817-63-9.
What is the molecular formula of 2-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)benzene-1,4-disulphonic acid?
The molecular formula of 2-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)benzene-1,4-disulphonic acid is C10H10N2O7S2.
What is the molecular weight of 2-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)benzene-1,4-disulphonic acid?
The molecular weight of 2-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)benzene-1,4-disulphonic acid is 333.99 g/mol.
Where can I buy 2-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)benzene-1,4-disulphonic acid?
You can request a quote for 2-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)benzene-1,4-disulphonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)benzene-1,4-disulphonic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)benzene-1,4-disulphonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.