4-BROMO-2-METHYL-1-PHENYL-3-((3-(TRIFLUOROMETHYL)PHENOXY)METHYL)-3-PYRAZOLIN-5-ONE
TL;DR: 4-BROMO-2-METHYL-1-PHENYL-3-((3-(TRIFLUOROMETHYL)PHENOXY)METHYL)-3-PYRAZOLIN-5-ONE (CAS 937604-60-9) is a chemical compound with molecular formula C18H14BrF3N2O2 and molecular weight 426.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-1-methyl-2-phenyl-5-[[3-(trifluoromethyl)phenoxy]methyl]pyrazol-3-one
Also Known As: 4-BROMO-2-METHYL-1-PHENYL-3-((3-(TRIFLUOROMETHYL)PHENOXY)METHYL)-3-PYRAZOLIN-5-ONE, 4-bromo-1-methyl-2-phenyl-5-[[3-(trifluoromethyl)phenoxy]methyl]pyrazol-3-one, 4-bromo-1-methyl-2-phenyl-5-{[3-(trifluoromethyl)phenoxy]methyl}-2,3-dihydro-1H-pyrazol-3-one, 4-bromo-1-methyl-2-phenyl-5-{[3-(trifluoromethyl)phenoxy]methyl}-1,2-dihydro-3H-pyrazol-3-one, 4-BROMO-1-METHYL-2-PHENYL-5-[3-(TRIFLUOROMETHYL)PHENOXYMETHYL]PYRAZOL-3-ONE
| Molecular Formula | C18H14BrF3N2O2 |
|---|---|
| Molecular Weight | 426.02 g/mol |
| LogP | 4.5363 |
| Topological Polar Surface Area | 36.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 426.01907 |
| Heavy Atoms | 26 |
| Complexity | 978.3367 |
Chemical Identifiers
| CAS Number | 937604-60-9 |
|---|---|
| SMILES | CN1C(=C(C(=O)N1C2=CC=CC=C2)Br)COC3=CC=CC(=C3)C(F)(F)F |
Product Overview
4-BROMO-2-METHYL-1-PHENYL-3-((3-(TRIFLUOROMETHYL)PHENOXY)METHYL)-3-PYRAZOLIN-5-ONE (CAS 937604-60-9), with molecular formula C18H14BrF3N2O2 and molecular weight 426.02 g/mol. IUPAC: 4-bromo-1-methyl-2-phenyl-5-[[3-(trifluoromethyl)phenoxy]methyl]pyrazol-3-one.
Chemical Property Profile of 4-BROMO-2-METHYL-1-PHENYL-3-((3-(TRIFLUOROMETHYL)PHENOXY)METHYL)-3-PYRAZOLIN-5-ONE
Property Insights of 4-BROMO-2-METHYL-1-PHENYL-3-((3-(TRIFLUOROMETHYL)PHENOXY)METHYL)-3-PYRAZOLIN-5-ONE
The XLogP value of 4.5363 indicates that 4-BROMO-2-METHYL-1-PHENYL-3-((3-(TRIFLUOROMETHYL)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 36.16 Ų, 4-BROMO-2-METHYL-1-PHENYL-3-((3-(TRIFLUOROMETHYL)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-((3-(TRIFLUOROMETHYL)PHENOXY)METHYL)-3-PYRAZOLIN-5-ONE has 0 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-BROMO-2-METHYL-1-PHENYL-3-((3-(TRIFLUOROMETHYL)PHENOXY)METHYL)-3-PYRAZOLIN-5-ONE?
The CAS number of 4-BROMO-2-METHYL-1-PHENYL-3-((3-(TRIFLUOROMETHYL)PHENOXY)METHYL)-3-PYRAZOLIN-5-ONE is 937604-60-9.
What is the molecular formula of 4-BROMO-2-METHYL-1-PHENYL-3-((3-(TRIFLUOROMETHYL)PHENOXY)METHYL)-3-PYRAZOLIN-5-ONE?
The molecular formula of 4-BROMO-2-METHYL-1-PHENYL-3-((3-(TRIFLUOROMETHYL)PHENOXY)METHYL)-3-PYRAZOLIN-5-ONE is C18H14BrF3N2O2.
What is the molecular weight of 4-BROMO-2-METHYL-1-PHENYL-3-((3-(TRIFLUOROMETHYL)PHENOXY)METHYL)-3-PYRAZOLIN-5-ONE?
The molecular weight of 4-BROMO-2-METHYL-1-PHENYL-3-((3-(TRIFLUOROMETHYL)PHENOXY)METHYL)-3-PYRAZOLIN-5-ONE is 426.02 g/mol.
Where can I buy 4-BROMO-2-METHYL-1-PHENYL-3-((3-(TRIFLUOROMETHYL)PHENOXY)METHYL)-3-PYRAZOLIN-5-ONE?
You can request a quote for 4-BROMO-2-METHYL-1-PHENYL-3-((3-(TRIFLUOROMETHYL)PHENOXY)METHYL)-3-PYRAZOLIN-5-ONE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-BROMO-2-METHYL-1-PHENYL-3-((3-(TRIFLUOROMETHYL)PHENOXY)METHYL)-3-PYRAZOLIN-5-ONE?
Yes, KEHONG BIO provides custom synthesis services for 4-BROMO-2-METHYL-1-PHENYL-3-((3-(TRIFLUOROMETHYL)PHENOXY)METHYL)-3-PYRAZOLIN-5-ONE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.