4-(3-Methyl-5-oxo-2-pyrazolin-1-yl)benzenesulphonic acid
TL;DR: 4-(3-Methyl-5-oxo-2-pyrazolin-1-yl)benzenesulphonic acid (CAS 89-36-1) is a chemical compound with molecular formula C10H10N2O4S and molecular weight 254.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonic acid
Also Known As: Pyrazoline G, 3-Methyl-1-(4-sulfophenyl)-2-pyrazolin-5-one, 4-(3-Methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid, Pyrazolic acid, 1-(4-Sulfophenyl)-3-methyl-5-pyrazolone
| Molecular Formula | C10H10N2O4S |
|---|---|
| Molecular Weight | 254.04 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 95.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 254.03613 |
| Heavy Atoms | 17 |
| Complexity | 443.0 |
Chemical Identifiers
| CAS Number | 89-36-1 |
|---|---|
| SMILES | CC1=NN(C(=O)C1)C2=CC=C(C=C2)S(=O)(=O)O |
| InChIKey | CWJQQASJVVAXKL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(3-Methyl-5-oxo-2-pyrazolin-1-yl)benzenesulphonic acid (CAS 89-36-1), with molecular formula C10H10N2O4S and molecular weight 254.04 g/mol. IUPAC: 4-(3-methyl-5-oxo-4H-pyrazol-1-yl)benzenesulfonic acid.
Chemical Property Profile of 4-(3-Methyl-5-oxo-2-pyrazolin-1-yl)benzenesulphonic acid
Property Insights of 4-(3-Methyl-5-oxo-2-pyrazolin-1-yl)benzenesulphonic acid
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3-Methyl-5-oxo-2-pyrazolin-1-yl)benzenesulphonic acid. The TPSA of 95.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3-Methyl-5-oxo-2-pyrazolin-1-yl)benzenesulphonic acid. Following Lipinski's Rule of Five, 4-(3-Methyl-5-oxo-2-pyrazolin-1-yl)benzenesulphonic acid has 1 hydrogen bond donor(s) and 5 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 4-(3-Methyl-5-oxo-2-pyrazolin-1-yl)benzenesulphonic acid?
The CAS number of 4-(3-Methyl-5-oxo-2-pyrazolin-1-yl)benzenesulphonic acid is 89-36-1.
What is the molecular formula of 4-(3-Methyl-5-oxo-2-pyrazolin-1-yl)benzenesulphonic acid?
The molecular formula of 4-(3-Methyl-5-oxo-2-pyrazolin-1-yl)benzenesulphonic acid is C10H10N2O4S.
What is the molecular weight of 4-(3-Methyl-5-oxo-2-pyrazolin-1-yl)benzenesulphonic acid?
The molecular weight of 4-(3-Methyl-5-oxo-2-pyrazolin-1-yl)benzenesulphonic acid is 254.04 g/mol.
Where can I buy 4-(3-Methyl-5-oxo-2-pyrazolin-1-yl)benzenesulphonic acid?
You can request a quote for 4-(3-Methyl-5-oxo-2-pyrazolin-1-yl)benzenesulphonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(3-Methyl-5-oxo-2-pyrazolin-1-yl)benzenesulphonic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-Methyl-5-oxo-2-pyrazolin-1-yl)benzenesulphonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.