3-(TERT-BUTYL)-4-((4-(3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYLOXY))PHENYL)METHYLENE)-1-PHENYL-2-PYRAZOLIN-5-ONE
TL;DR: 3-(TERT-BUTYL)-4-((4-(3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYLOXY))PHENYL)METHYLENE)-1-PHENYL-2-PYRAZOLIN-5-ONE (CAS 1025665-52-4) is a chemical compound with molecular formula C26H21ClF3N3O2 and molecular weight 499.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-tert-butyl-4-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]-2-phenylpyrazol-3-one
Also Known As: 3-(TERT-BUTYL)-4-((4-(3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYLOXY))PHENYL)METHYLENE)-1-PHENYL-2-PYRAZOLIN-5-ONE, 5-tert-butyl-4-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]oxy]phenyl]methylene]-2-phenyl-pyrazol-3-one, 5-tert-butyl-4-[[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]methylidene]-2-phenylpyrazol-3-one, C26H21ClF3N3O2
| Molecular Formula | C26H21ClF3N3O2 |
|---|---|
| Molecular Weight | 499.13 g/mol |
| LogP | 7.3784 |
| Topological Polar Surface Area | 54.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 499.12744 |
| Heavy Atoms | 35 |
| Complexity | 1312.4089 |
Chemical Identifiers
| CAS Number | 1025665-52-4 |
|---|---|
| SMILES | CC(C)(C)C1=NN(C(=O)C1=CC2=CC=C(C=C2)OC3=C(C=C(C=N3)C(F)(F)F)Cl)C4=CC=CC=C4 |
Product Overview
3-(TERT-BUTYL)-4-((4-(3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYLOXY))PHENYL)METHYLENE)-1-PHENYL-2-PYRAZOLIN-5-ONE (CAS 1025665-52-4), with molecular formula C26H21ClF3N3O2 and molecular weight 499.13 g/mol. IUPAC: 5-tert-butyl-4-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methylidene]-2-phenylpyrazol-3-one.
Chemical Property Profile of 3-(TERT-BUTYL)-4-((4-(3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYLOXY))PHENYL)METHYLENE)-1-PHENYL-2-PYRAZOLIN-5-ONE
Property Insights of 3-(TERT-BUTYL)-4-((4-(3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYLOXY))PHENYL)METHYLENE)-1-PHENYL-2-PYRAZOLIN-5-ONE
The XLogP value of 7.3784 indicates that 3-(TERT-BUTYL)-4-((4-(3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYLOXY))PHENYL)METHYLENE)-1-PHENYL-2-PYRAZOLIN-5-ONE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.79 Ų, 3-(TERT-BUTYL)-4-((4-(3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYLOXY))PHENYL)METHYLENE)-1-PHENYL-2-PYRAZOLIN-5-ONE exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(TERT-BUTYL)-4-((4-(3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYLOXY))PHENYL)METHYLENE)-1-PHENYL-2-PYRAZOLIN-5-ONE has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(TERT-BUTYL)-4-((4-(3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYLOXY))PHENYL)METHYLENE)-1-PHENYL-2-PYRAZOLIN-5-ONE?
The CAS number of 3-(TERT-BUTYL)-4-((4-(3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYLOXY))PHENYL)METHYLENE)-1-PHENYL-2-PYRAZOLIN-5-ONE is 1025665-52-4.
What is the molecular formula of 3-(TERT-BUTYL)-4-((4-(3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYLOXY))PHENYL)METHYLENE)-1-PHENYL-2-PYRAZOLIN-5-ONE?
The molecular formula of 3-(TERT-BUTYL)-4-((4-(3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYLOXY))PHENYL)METHYLENE)-1-PHENYL-2-PYRAZOLIN-5-ONE is C26H21ClF3N3O2.
What is the molecular weight of 3-(TERT-BUTYL)-4-((4-(3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYLOXY))PHENYL)METHYLENE)-1-PHENYL-2-PYRAZOLIN-5-ONE?
The molecular weight of 3-(TERT-BUTYL)-4-((4-(3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYLOXY))PHENYL)METHYLENE)-1-PHENYL-2-PYRAZOLIN-5-ONE is 499.13 g/mol.
Where can I buy 3-(TERT-BUTYL)-4-((4-(3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYLOXY))PHENYL)METHYLENE)-1-PHENYL-2-PYRAZOLIN-5-ONE?
You can request a quote for 3-(TERT-BUTYL)-4-((4-(3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYLOXY))PHENYL)METHYLENE)-1-PHENYL-2-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 3-(TERT-BUTYL)-4-((4-(3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYLOXY))PHENYL)METHYLENE)-1-PHENYL-2-PYRAZOLIN-5-ONE?
Yes, KEHONG BIO provides custom synthesis services for 3-(TERT-BUTYL)-4-((4-(3-CHLORO-5-(TRIFLUOROMETHYL)(2-PYRIDYLOXY))PHENYL)METHYLENE)-1-PHENYL-2-PYRAZOLIN-5-ONE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.