4-BROMO-2-METHYL-1-PHENYL-3-((4-(TRIFLUOROMETHYLTHIO)PHENOXY)METHYL)-3-PYRAZOLIN-5-ONE
TL;DR: 4-BROMO-2-METHYL-1-PHENYL-3-((4-(TRIFLUOROMETHYLTHIO)PHENOXY)METHYL)-3-PYRAZOLIN-5-ONE (CAS 1023849-95-7) is a chemical compound with molecular formula C18H14BrF3N2O2S and molecular weight 457.99115 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-bromo-1-methyl-2-phenyl-5-[[4-(trifluoromethylsulfanyl)phenoxy]methyl]pyrazol-3-one
Also Known As: 4-BROMO-2-METHYL-1-PHENYL-3-((4-(TRIFLUOROMETHYLTHIO)PHENOXY)METHYL)-3-PYRAZOLIN-5-ONE, 4-bromo-1-methyl-2-phenyl-5-[[4-(trifluoromethylsulfanyl)phenoxy]methyl]pyrazol-3-one, 4-bromo-1-methyl-2-phenyl-5-({4-[(trifluoromethyl)sulfanyl]phenoxy}methyl)-2,3-dihydro-1H-pyrazol-3-one
Technical Specifications
| Molecular Formula | C18H14BrF3N2O2S |
| Molecular Weight | 457.99115 g/mol |
| XLogP | 5.7 |
| Topological Polar Surface Area (TPSA) | 58.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 457.99115 Da |
| Heavy Atoms | 27 |
| Complexity | 573.0 |
| SMILES | CN1C(=C(C(=O)N1C2=CC=CC=C2)Br)COC3=CC=C(C=C3)SC(F)(F)F |
| InChIKey | HHZDJWUHDHTDFA-UHFFFAOYSA-N |
Chemical Property Profile of 4-BROMO-2-METHYL-1-PHENYL-3-((4-(TRIFLUOROMETHYLTHIO)PHENOXY)METHYL)-3-PYRAZOLIN-5-ONE
Property Insights of 4-BROMO-2-METHYL-1-PHENYL-3-((4-(TRIFLUOROMETHYLTHIO)PHENOXY)METHYL)-3-PYRAZOLIN-5-ONE
The XLogP value of 5.7 indicates that 4-BROMO-2-METHYL-1-PHENYL-3-((4-(TRIFLUOROMETHYLTHIO)PHENOXY)METHYL)-3-PYRAZOLIN-5-ONE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.1 Ų, 4-BROMO-2-METHYL-1-PHENYL-3-((4-(TRIFLUOROMETHYLTHIO)PHENOXY)METHYL)-3-PYRAZOLIN-5-ONE exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-BROMO-2-METHYL-1-PHENYL-3-((4-(TRIFLUOROMETHYLTHIO)PHENOXY)METHYL)-3-PYRAZOLIN-5-ONE has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 4-BROMO-2-METHYL-1-PHENYL-3-((4-(TRIFLUOROMETHYLTHIO)PHENOXY)METHYL)-3-PYRAZOLIN-5-ONE?
The CAS number of 4-BROMO-2-METHYL-1-PHENYL-3-((4-(TRIFLUOROMETHYLTHIO)PHENOXY)METHYL)-3-PYRAZOLIN-5-ONE is 1023849-95-7.
What is the molecular formula of 4-BROMO-2-METHYL-1-PHENYL-3-((4-(TRIFLUOROMETHYLTHIO)PHENOXY)METHYL)-3-PYRAZOLIN-5-ONE?
The molecular formula of 4-BROMO-2-METHYL-1-PHENYL-3-((4-(TRIFLUOROMETHYLTHIO)PHENOXY)METHYL)-3-PYRAZOLIN-5-ONE is C18H14BrF3N2O2S.
What is the molecular weight of 4-BROMO-2-METHYL-1-PHENYL-3-((4-(TRIFLUOROMETHYLTHIO)PHENOXY)METHYL)-3-PYRAZOLIN-5-ONE?
The molecular weight of 4-BROMO-2-METHYL-1-PHENYL-3-((4-(TRIFLUOROMETHYLTHIO)PHENOXY)METHYL)-3-PYRAZOLIN-5-ONE is 457.99115 g/mol.
Where can I buy 4-BROMO-2-METHYL-1-PHENYL-3-((4-(TRIFLUOROMETHYLTHIO)PHENOXY)METHYL)-3-PYRAZOLIN-5-ONE?
You can request a quote for 4-BROMO-2-METHYL-1-PHENYL-3-((4-(TRIFLUOROMETHYLTHIO)PHENOXY)METHYL)-3-PYRAZOLIN-5-ONE directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-BROMO-2-METHYL-1-PHENYL-3-((4-(TRIFLUOROMETHYLTHIO)PHENOXY)METHYL)-3-PYRAZOLIN-5-ONE?
Yes, CoreyChem provides custom synthesis services for 4-BROMO-2-METHYL-1-PHENYL-3-((4-(TRIFLUOROMETHYLTHIO)PHENOXY)METHYL)-3-PYRAZOLIN-5-ONE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.