![2-{[1-(4-chlorophenyl)-1H-pyrazol-4-yl]carbonyl}phenyl benzenesulfonate structure](/static/products/956/956741-35-8.png)
2-{[1-(4-chlorophenyl)-1H-pyrazol-4-yl]carbonyl}phenyl benzenesulfonate
TL;DR: 2-{[1-(4-chlorophenyl)-1H-pyrazol-4-yl]carbonyl}phenyl benzenesulfonate (CAS 956741-35-8) is a chemical compound with molecular formula C22H15ClN2O4S and molecular weight 438.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[1-(4-chlorophenyl)pyrazole-4-carbonyl]phenyl] benzenesulfonate
Also Known As: 2-{[1-(4-chlorophenyl)-1H-pyrazol-4-yl]carbonyl}phenyl benzenesulfonate, [2-[1-(4-chlorophenyl)pyrazole-4-carbonyl]phenyl] benzenesulfonate, 12W-0269, 2-[1-(4-chlorophenyl)-1H-pyrazole-4-carbonyl]phenyl benzenesulfonate, 2-[1-(4-chlorophenyl)-1H-pyrazole-4-carbonyl]phenylbenzenesulfonate
| Molecular Formula | C22H15ClN2O4S |
|---|---|
| Molecular Weight | 438.04 g/mol |
| LogP | 4.5244 |
| Topological Polar Surface Area | 78.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 438.0441 |
| Heavy Atoms | 30 |
| Complexity | 1300.494 |
Chemical Identifiers
| CAS Number | 956741-35-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2C(=O)C3=CN(N=C3)C4=CC=C(C=C4)Cl |
Product Overview
2-{[1-(4-chlorophenyl)-1H-pyrazol-4-yl]carbonyl}phenyl benzenesulfonate (CAS 956741-35-8), with molecular formula C22H15ClN2O4S and molecular weight 438.04 g/mol. IUPAC: [2-[1-(4-chlorophenyl)pyrazole-4-carbonyl]phenyl] benzenesulfonate.
Chemical Property Profile of 2-{[1-(4-chlorophenyl)-1H-pyrazol-4-yl]carbonyl}phenyl benzenesulfonate
Property Insights of 2-{[1-(4-chlorophenyl)-1H-pyrazol-4-yl]carbonyl}phenyl benzenesulfonate
The XLogP value of 4.5244 indicates that 2-{[1-(4-chlorophenyl)-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-chlorophenyl)-1H-pyrazol-4-yl]carbonyl}phenyl benzenesulfonate. Following Lipinski's Rule of Five, 2-{[1-(4-chlorophenyl)-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-chlorophenyl)-1H-pyrazol-4-yl]carbonyl}phenyl benzenesulfonate?
The CAS number of 2-{[1-(4-chlorophenyl)-1H-pyrazol-4-yl]carbonyl}phenyl benzenesulfonate is 956741-35-8.
What is the molecular formula of 2-{[1-(4-chlorophenyl)-1H-pyrazol-4-yl]carbonyl}phenyl benzenesulfonate?
The molecular formula of 2-{[1-(4-chlorophenyl)-1H-pyrazol-4-yl]carbonyl}phenyl benzenesulfonate is C22H15ClN2O4S.
What is the molecular weight of 2-{[1-(4-chlorophenyl)-1H-pyrazol-4-yl]carbonyl}phenyl benzenesulfonate?
The molecular weight of 2-{[1-(4-chlorophenyl)-1H-pyrazol-4-yl]carbonyl}phenyl benzenesulfonate is 438.04 g/mol.
Where can I buy 2-{[1-(4-chlorophenyl)-1H-pyrazol-4-yl]carbonyl}phenyl benzenesulfonate?
You can request a quote for 2-{[1-(4-chlorophenyl)-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-chlorophenyl)-1H-pyrazol-4-yl]carbonyl}phenyl benzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2-{[1-(4-chlorophenyl)-1H-pyrazol-4-yl]carbonyl}phenyl benzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.