1-phenyl-4-(p-tolylthio)-3-(trifluoromethyl)-1H-pyrazol-5-ol
TL;DR: 1-phenyl-4-(p-tolylthio)-3-(trifluoromethyl)-1H-pyrazol-5-ol (CAS 1017491-48-3) is a chemical compound with molecular formula C17H13F3N2OS and molecular weight 350.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-methylphenyl)sulfanyl-2-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-one
Also Known As: 1-phenyl-4-(p-tolylthio)-3-(trifluoromethyl)-1H-pyrazol-5-ol, 4-(4-methylphenyl)sulfanyl-2-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-one, 4-[(4-methylphenyl)sulfanyl]-1-phenyl-3-(trifluoromethyl)-1H-pyrazol-5-ol, F1581-0037
| Molecular Formula | C17H13F3N2OS |
|---|---|
| Molecular Weight | 350.07 g/mol |
| LogP | 4.64402 |
| Topological Polar Surface Area | 37.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 350.07007 |
| Heavy Atoms | 24 |
| Complexity | 896.3254 |
Chemical Identifiers
| CAS Number | 1017491-48-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SC2=C(NN(C2=O)C3=CC=CC=C3)C(F)(F)F |
Product Overview
1-phenyl-4-(p-tolylthio)-3-(trifluoromethyl)-1H-pyrazol-5-ol (CAS 1017491-48-3), with molecular formula C17H13F3N2OS and molecular weight 350.07 g/mol. IUPAC: 4-(4-methylphenyl)sulfanyl-2-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-one.
Chemical Property Profile of 1-phenyl-4-(p-tolylthio)-3-(trifluoromethyl)-1H-pyrazol-5-ol
Property Insights of 1-phenyl-4-(p-tolylthio)-3-(trifluoromethyl)-1H-pyrazol-5-ol
The XLogP value of 4.64402 indicates that 1-phenyl-4-(p-tolylthio)-3-(trifluoromethyl)-1H-pyrazol-5-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.79 Ų, 1-phenyl-4-(p-tolylthio)-3-(trifluoromethyl)-1H-pyrazol-5-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-phenyl-4-(p-tolylthio)-3-(trifluoromethyl)-1H-pyrazol-5-ol 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 1-phenyl-4-(p-tolylthio)-3-(trifluoromethyl)-1H-pyrazol-5-ol?
The CAS number of 1-phenyl-4-(p-tolylthio)-3-(trifluoromethyl)-1H-pyrazol-5-ol is 1017491-48-3.
What is the molecular formula of 1-phenyl-4-(p-tolylthio)-3-(trifluoromethyl)-1H-pyrazol-5-ol?
The molecular formula of 1-phenyl-4-(p-tolylthio)-3-(trifluoromethyl)-1H-pyrazol-5-ol is C17H13F3N2OS.
What is the molecular weight of 1-phenyl-4-(p-tolylthio)-3-(trifluoromethyl)-1H-pyrazol-5-ol?
The molecular weight of 1-phenyl-4-(p-tolylthio)-3-(trifluoromethyl)-1H-pyrazol-5-ol is 350.07 g/mol.
Where can I buy 1-phenyl-4-(p-tolylthio)-3-(trifluoromethyl)-1H-pyrazol-5-ol?
You can request a quote for 1-phenyl-4-(p-tolylthio)-3-(trifluoromethyl)-1H-pyrazol-5-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-phenyl-4-(p-tolylthio)-3-(trifluoromethyl)-1H-pyrazol-5-ol?
Yes, KEHONG BIO provides custom synthesis services for 1-phenyl-4-(p-tolylthio)-3-(trifluoromethyl)-1H-pyrazol-5-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.