4-(3-(4-Chlorophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid
TL;DR: 4-(3-(4-Chlorophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid (CAS 6531-06-2) is a chemical compound with molecular formula C21H17ClN2O3S and molecular weight 412.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[5-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonic acid
Also Known As: 4-(3-(4-Chlorophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid, 4-[3-(4-chlorophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl]benzenesulfonic acid, 4-[3-(4-chlorophenyl)-5-phenyl-4,5-dihydropyrazol-1-yl]benzenesulfonic Acid, 4-[5-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonic acid
| Molecular Formula | C21H17ClN2O3S |
|---|---|
| Molecular Weight | 412.06 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 78.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 412.06485 |
| Heavy Atoms | 28 |
| Complexity | 656.0 |
Chemical Identifiers
| CAS Number | 6531-06-2 |
|---|---|
| SMILES | C1C(N(N=C1C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)S(=O)(=O)O)C4=CC=CC=C4 |
| InChIKey | DNEVQXXTGYPYTA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(3-(4-Chlorophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid (CAS 6531-06-2), with molecular formula C21H17ClN2O3S and molecular weight 412.06 g/mol. IUPAC: 4-[5-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]benzenesulfonic acid.
Chemical Property Profile of 4-(3-(4-Chlorophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid
Property Insights of 4-(3-(4-Chlorophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid
The XLogP value of 4.4 indicates that 4-(3-(4-Chlorophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3-(4-Chlorophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid. Following Lipinski's Rule of Five, 4-(3-(4-Chlorophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic 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-(4-Chlorophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid?
The CAS number of 4-(3-(4-Chlorophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid is 6531-06-2.
What is the molecular formula of 4-(3-(4-Chlorophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid?
The molecular formula of 4-(3-(4-Chlorophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid is C21H17ClN2O3S.
What is the molecular weight of 4-(3-(4-Chlorophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid?
The molecular weight of 4-(3-(4-Chlorophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid is 412.06 g/mol.
Where can I buy 4-(3-(4-Chlorophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid?
You can request a quote for 4-(3-(4-Chlorophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic 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-(4-Chlorophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(3-(4-Chlorophenyl)-5-phenyl-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.