2-(4,5-Dihydro-5-oxo-3-phenyl-1H-pyrazol-1-yl)benzenesulphonic acid
TL;DR: 2-(4,5-Dihydro-5-oxo-3-phenyl-1H-pyrazol-1-yl)benzenesulphonic acid (CAS 5855-68-5) is a chemical compound with molecular formula C15H12N2O4S and molecular weight 316.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-oxo-3-phenyl-4H-pyrazol-1-yl)benzenesulfonic acid
Also Known As: 2-(4,5-Dihydro-5-oxo-3-phenyl-1H-pyrazol-1-yl)benzenesulphonic acid, 2-(5-oxo-3-phenyl-4H-pyrazol-1-yl)benzenesulfonic acid, 2-(5-oxo-3-phenyl-4,5-dihydro-1h-pyrazol-1-yl)benzenesulfonic acid, Benzenesulfonic acid, 2-(4,5-dihydro-5-oxo-3-phenyl-1H-pyrazol-1-yl)-, 2-(4,5-DIHYDRO-5-OXO-3-PHENYL-1H-PYRAZOL-1-YL)BENZENESULFONIC ACID
| Molecular Formula | C15H12N2O4S |
|---|---|
| Molecular Weight | 316.05 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 95.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 316.0518 |
| Heavy Atoms | 22 |
| Complexity | 561.0 |
Chemical Identifiers
| CAS Number | 5855-68-5 |
|---|---|
| SMILES | C1C(=NN(C1=O)C2=CC=CC=C2S(=O)(=O)O)C3=CC=CC=C3 |
| InChIKey | LJMVVICUDHEKNL-UHFFFAOYSA-N |
Product Overview
2-(4,5-Dihydro-5-oxo-3-phenyl-1H-pyrazol-1-yl)benzenesulphonic acid (CAS 5855-68-5), with molecular formula C15H12N2O4S and molecular weight 316.05 g/mol. IUPAC: 2-(5-oxo-3-phenyl-4H-pyrazol-1-yl)benzenesulfonic acid.
Chemical Property Profile of 2-(4,5-Dihydro-5-oxo-3-phenyl-1H-pyrazol-1-yl)benzenesulphonic acid
Property Insights of 2-(4,5-Dihydro-5-oxo-3-phenyl-1H-pyrazol-1-yl)benzenesulphonic acid
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4,5-Dihydro-5-oxo-3-phenyl-1H-pyrazol-1-yl)benzenesulphonic acid. The TPSA of 95.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4,5-Dihydro-5-oxo-3-phenyl-1H-pyrazol-1-yl)benzenesulphonic acid. Following Lipinski's Rule of Five, 2-(4,5-Dihydro-5-oxo-3-phenyl-1H-pyrazol-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 2-(4,5-Dihydro-5-oxo-3-phenyl-1H-pyrazol-1-yl)benzenesulphonic acid?
The CAS number of 2-(4,5-Dihydro-5-oxo-3-phenyl-1H-pyrazol-1-yl)benzenesulphonic acid is 5855-68-5.
What is the molecular formula of 2-(4,5-Dihydro-5-oxo-3-phenyl-1H-pyrazol-1-yl)benzenesulphonic acid?
The molecular formula of 2-(4,5-Dihydro-5-oxo-3-phenyl-1H-pyrazol-1-yl)benzenesulphonic acid is C15H12N2O4S.
What is the molecular weight of 2-(4,5-Dihydro-5-oxo-3-phenyl-1H-pyrazol-1-yl)benzenesulphonic acid?
The molecular weight of 2-(4,5-Dihydro-5-oxo-3-phenyl-1H-pyrazol-1-yl)benzenesulphonic acid is 316.05 g/mol.
Where can I buy 2-(4,5-Dihydro-5-oxo-3-phenyl-1H-pyrazol-1-yl)benzenesulphonic acid?
You can request a quote for 2-(4,5-Dihydro-5-oxo-3-phenyl-1H-pyrazol-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 2-(4,5-Dihydro-5-oxo-3-phenyl-1H-pyrazol-1-yl)benzenesulphonic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(4,5-Dihydro-5-oxo-3-phenyl-1H-pyrazol-1-yl)benzenesulphonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.