4-((4-chlorophenyl)thio)-3,5-dimethyl-1-((4-nitrophenyl)sulfonyl)-1H-pyrazole
TL;DR: 4-((4-chlorophenyl)thio)-3,5-dimethyl-1-((4-nitrophenyl)sulfonyl)-1H-pyrazole (CAS 394236-87-4) is a chemical compound with molecular formula C17H14ClN3O4S2 and molecular weight 423.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-chlorophenyl)sulfanyl-3,5-dimethyl-1-(4-nitrophenyl)sulfonylpyrazole
Also Known As: BAS 00793680, 4-[(4-chlorophenyl)sulfanyl]-3,5-dimethyl-1-(4-nitrobenzenesulfonyl)-1H-pyrazole, 4-((4-chlorophenyl)thio)-3,5-dimethyl-1-((4-nitrophenyl)sulfonyl)-1H-pyrazole, F0755-0080, 4-(4-chlorophenyl)sulfanyl-3,5-dimethyl-1-(4-nitrophenyl)sulfonylpyrazole
| Molecular Formula | C17H14ClN3O4S2 |
|---|---|
| Molecular Weight | 423.01 g/mol |
| LogP | 4.44974 |
| Topological Polar Surface Area | 95.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 423.0114 |
| Heavy Atoms | 27 |
| Complexity | 1108.3303 |
Chemical Identifiers
| CAS Number | 394236-87-4 |
|---|---|
| SMILES | CC1=C(C(=NN1S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-])C)SC3=CC=C(C=C3)Cl |
Product Overview
4-((4-chlorophenyl)thio)-3,5-dimethyl-1-((4-nitrophenyl)sulfonyl)-1H-pyrazole (CAS 394236-87-4), with molecular formula C17H14ClN3O4S2 and molecular weight 423.01 g/mol. IUPAC: 4-(4-chlorophenyl)sulfanyl-3,5-dimethyl-1-(4-nitrophenyl)sulfonylpyrazole.
Chemical Property Profile of 4-((4-chlorophenyl)thio)-3,5-dimethyl-1-((4-nitrophenyl)sulfonyl)-1H-pyrazole
Property Insights of 4-((4-chlorophenyl)thio)-3,5-dimethyl-1-((4-nitrophenyl)sulfonyl)-1H-pyrazole
The XLogP value of 4.44974 indicates that 4-((4-chlorophenyl)thio)-3,5-dimethyl-1-((4-nitrophenyl)sulfonyl)-1H-pyrazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((4-chlorophenyl)thio)-3,5-dimethyl-1-((4-nitrophenyl)sulfonyl)-1H-pyrazole. Following Lipinski's Rule of Five, 4-((4-chlorophenyl)thio)-3,5-dimethyl-1-((4-nitrophenyl)sulfonyl)-1H-pyrazole has 0 hydrogen bond donor(s) and 6 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-((4-chlorophenyl)thio)-3,5-dimethyl-1-((4-nitrophenyl)sulfonyl)-1H-pyrazole?
The CAS number of 4-((4-chlorophenyl)thio)-3,5-dimethyl-1-((4-nitrophenyl)sulfonyl)-1H-pyrazole is 394236-87-4.
What is the molecular formula of 4-((4-chlorophenyl)thio)-3,5-dimethyl-1-((4-nitrophenyl)sulfonyl)-1H-pyrazole?
The molecular formula of 4-((4-chlorophenyl)thio)-3,5-dimethyl-1-((4-nitrophenyl)sulfonyl)-1H-pyrazole is C17H14ClN3O4S2.
What is the molecular weight of 4-((4-chlorophenyl)thio)-3,5-dimethyl-1-((4-nitrophenyl)sulfonyl)-1H-pyrazole?
The molecular weight of 4-((4-chlorophenyl)thio)-3,5-dimethyl-1-((4-nitrophenyl)sulfonyl)-1H-pyrazole is 423.01 g/mol.
Where can I buy 4-((4-chlorophenyl)thio)-3,5-dimethyl-1-((4-nitrophenyl)sulfonyl)-1H-pyrazole?
You can request a quote for 4-((4-chlorophenyl)thio)-3,5-dimethyl-1-((4-nitrophenyl)sulfonyl)-1H-pyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((4-chlorophenyl)thio)-3,5-dimethyl-1-((4-nitrophenyl)sulfonyl)-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 4-((4-chlorophenyl)thio)-3,5-dimethyl-1-((4-nitrophenyl)sulfonyl)-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.