![2-{[1-(4-methylphenyl)-1H-pyrazol-4-yl]carbonyl}phenyl benzenesulfonate structure](/static/products/956/956574-16-6.png)
2-{[1-(4-methylphenyl)-1H-pyrazol-4-yl]carbonyl}phenyl benzenesulfonate
TL;DR: 2-{[1-(4-methylphenyl)-1H-pyrazol-4-yl]carbonyl}phenyl benzenesulfonate (CAS 956574-16-6) is a chemical compound with molecular formula C23H18N2O4S and molecular weight 418.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[1-(4-methylphenyl)pyrazole-4-carbonyl]phenyl] benzenesulfonate
Also Known As: 2-{[1-(4-methylphenyl)-1H-pyrazol-4-yl]carbonyl}phenyl benzenesulfonate, [2-[1-(4-methylphenyl)pyrazole-4-carbonyl]phenyl] benzenesulfonate, 12W-0263, 2-[1-(4-methylphenyl)-1H-pyrazole-4-carbonyl]phenyl benzenesulfonate, 2-[1-(4-methylphenyl)-1H-pyrazole-4-carbonyl]phenylbenzenesulfonate
| Molecular Formula | C23H18N2O4S |
|---|---|
| Molecular Weight | 418.10 g/mol |
| LogP | 4.17942 |
| Topological Polar Surface Area | 78.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 418.09872 |
| Heavy Atoms | 30 |
| Complexity | 1294.5597 |
Chemical Identifiers
| CAS Number | 956574-16-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C=C(C=N2)C(=O)C3=CC=CC=C3OS(=O)(=O)C4=CC=CC=C4 |
Product Overview
2-{[1-(4-methylphenyl)-1H-pyrazol-4-yl]carbonyl}phenyl benzenesulfonate (CAS 956574-16-6), with molecular formula C23H18N2O4S and molecular weight 418.10 g/mol. IUPAC: [2-[1-(4-methylphenyl)pyrazole-4-carbonyl]phenyl] benzenesulfonate.
Chemical Property Profile of 2-{[1-(4-methylphenyl)-1H-pyrazol-4-yl]carbonyl}phenyl benzenesulfonate
Property Insights of 2-{[1-(4-methylphenyl)-1H-pyrazol-4-yl]carbonyl}phenyl benzenesulfonate
The XLogP value of 4.17942 indicates that 2-{[1-(4-methylphenyl)-1H-pyrazol-4-yl]carbonyl}phenyl benzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.26 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[1-(4-methylphenyl)-1H-pyrazol-4-yl]carbonyl}phenyl benzenesulfonate. Following Lipinski's Rule of Five, 2-{[1-(4-methylphenyl)-1H-pyrazol-4-yl]carbonyl}phenyl benzenesulfonate has 0 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-{[1-(4-methylphenyl)-1H-pyrazol-4-yl]carbonyl}phenyl benzenesulfonate?
The CAS number of 2-{[1-(4-methylphenyl)-1H-pyrazol-4-yl]carbonyl}phenyl benzenesulfonate is 956574-16-6.
What is the molecular formula of 2-{[1-(4-methylphenyl)-1H-pyrazol-4-yl]carbonyl}phenyl benzenesulfonate?
The molecular formula of 2-{[1-(4-methylphenyl)-1H-pyrazol-4-yl]carbonyl}phenyl benzenesulfonate is C23H18N2O4S.
What is the molecular weight of 2-{[1-(4-methylphenyl)-1H-pyrazol-4-yl]carbonyl}phenyl benzenesulfonate?
The molecular weight of 2-{[1-(4-methylphenyl)-1H-pyrazol-4-yl]carbonyl}phenyl benzenesulfonate is 418.10 g/mol.
Where can I buy 2-{[1-(4-methylphenyl)-1H-pyrazol-4-yl]carbonyl}phenyl benzenesulfonate?
You can request a quote for 2-{[1-(4-methylphenyl)-1H-pyrazol-4-yl]carbonyl}phenyl benzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[1-(4-methylphenyl)-1H-pyrazol-4-yl]carbonyl}phenyl benzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2-{[1-(4-methylphenyl)-1H-pyrazol-4-yl]carbonyl}phenyl benzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.