3-Methyl-1-phenyl-5-pyrazolone-4'-sulfonic acid
TL;DR: 3-Methyl-1-phenyl-5-pyrazolone-4'-sulfonic acid (CAS 408316-94-9) 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-(5-methyl-3-oxo-1H-pyrazol-2-yl)benzenesulfonic acid
Also Known As: Pyrazoline G, 1-(4-Sulfophenyl)-3-methyl-5-pyrazolone, 1-(4'-Sulfophenyl)-3-methyl-5-pyrazolone, 3-methyl-1-(4'-sulfophenyl)-5-pyrazolone, 1-p-Sulfophenyl-3-methyl-5-pyrazolon
| Molecular Formula | C10H10N2O4S |
|---|---|
| Molecular Weight | 254.04 g/mol |
| LogP | 0.72072 |
| Topological Polar Surface Area | 92.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 254.03613 |
| Heavy Atoms | 17 |
| Complexity | 694.6523 |
Chemical Identifiers
| CAS Number | 408316-94-9 |
|---|---|
| SMILES | CC1=CC(=O)N(N1)C2=CC=C(C=C2)S(=O)(=O)O |
Product Overview
3-Methyl-1-phenyl-5-pyrazolone-4'-sulfonic acid (CAS 408316-94-9), with molecular formula C10H10N2O4S and molecular weight 254.04 g/mol. IUPAC: 4-(5-methyl-3-oxo-1H-pyrazol-2-yl)benzenesulfonic acid.
Chemical Property Profile of 3-Methyl-1-phenyl-5-pyrazolone-4'-sulfonic acid
Property Insights of 3-Methyl-1-phenyl-5-pyrazolone-4'-sulfonic acid
The XLogP value of 0.72072 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-1-phenyl-5-pyrazolone-4'-sulfonic acid. The TPSA of 92.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methyl-1-phenyl-5-pyrazolone-4'-sulfonic acid. Following Lipinski's Rule of Five, 3-Methyl-1-phenyl-5-pyrazolone-4'-sulfonic acid has 2 hydrogen bond donor(s) and 3 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 3-Methyl-1-phenyl-5-pyrazolone-4'-sulfonic acid?
The CAS number of 3-Methyl-1-phenyl-5-pyrazolone-4'-sulfonic acid is 408316-94-9.
What is the molecular formula of 3-Methyl-1-phenyl-5-pyrazolone-4'-sulfonic acid?
The molecular formula of 3-Methyl-1-phenyl-5-pyrazolone-4'-sulfonic acid is C10H10N2O4S.
What is the molecular weight of 3-Methyl-1-phenyl-5-pyrazolone-4'-sulfonic acid?
The molecular weight of 3-Methyl-1-phenyl-5-pyrazolone-4'-sulfonic acid is 254.04 g/mol.
Where can I buy 3-Methyl-1-phenyl-5-pyrazolone-4'-sulfonic acid?
You can request a quote for 3-Methyl-1-phenyl-5-pyrazolone-4'-sulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-1-phenyl-5-pyrazolone-4'-sulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-1-phenyl-5-pyrazolone-4'-sulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.