4-(4-chlorophenyl)sulfanyl-2-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-one
TL;DR: 4-(4-chlorophenyl)sulfanyl-2-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-one (CAS 1017491-50-7) is a chemical compound with molecular formula C16H10ClF3N2OS and molecular weight 370.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-chlorophenyl)sulfanyl-2-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-one
Also Known As: F1581-0038, 4-(4-Chloro-phenylsulfanyl)-2-phenyl-5-trifluoromethyl-2H-pyrazol-3-ol, 4-(4-chlorophenyl)sulfanyl-2-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-one, 4-((4-chlorophenyl)thio)-1-phenyl-3-(trifluoromethyl)-1H-pyrazol-5-ol, 4-(p-chlorophenylthio)-1-phenyl-3-(trifluoromethyl)-5-pyrazolol
| Molecular Formula | C16H10ClF3N2OS |
|---|---|
| Molecular Weight | 370.02 g/mol |
| LogP | 4.989 |
| Topological Polar Surface Area | 37.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 370.01544 |
| Heavy Atoms | 24 |
| Complexity | 901.81226 |
Chemical Identifiers
| CAS Number | 1017491-50-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=O)C(=C(N2)C(F)(F)F)SC3=CC=C(C=C3)Cl |
Product Overview
4-(4-chlorophenyl)sulfanyl-2-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-one (CAS 1017491-50-7), with molecular formula C16H10ClF3N2OS and molecular weight 370.02 g/mol. IUPAC: 4-(4-chlorophenyl)sulfanyl-2-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-one.
Chemical Property Profile of 4-(4-chlorophenyl)sulfanyl-2-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-one
Property Insights of 4-(4-chlorophenyl)sulfanyl-2-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-one
The XLogP value of 4.989 indicates that 4-(4-chlorophenyl)sulfanyl-2-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.79 Ų, 4-(4-chlorophenyl)sulfanyl-2-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4-chlorophenyl)sulfanyl-2-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-one has 1 hydrogen bond donor(s) and 2 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)sulfanyl-2-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-one?
The CAS number of 4-(4-chlorophenyl)sulfanyl-2-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-one is 1017491-50-7.
What is the molecular formula of 4-(4-chlorophenyl)sulfanyl-2-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-one?
The molecular formula of 4-(4-chlorophenyl)sulfanyl-2-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-one is C16H10ClF3N2OS.
What is the molecular weight of 4-(4-chlorophenyl)sulfanyl-2-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-one?
The molecular weight of 4-(4-chlorophenyl)sulfanyl-2-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-one is 370.02 g/mol.
Where can I buy 4-(4-chlorophenyl)sulfanyl-2-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-one?
You can request a quote for 4-(4-chlorophenyl)sulfanyl-2-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-one 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)sulfanyl-2-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-chlorophenyl)sulfanyl-2-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.