2-Pyrazolin-5-ol, 5-tert-butyl-1-(2-fluorobenzoyl)-3-trifluoromethyl-
TL;DR: 2-Pyrazolin-5-ol, 5-tert-butyl-1-(2-fluorobenzoyl)-3-trifluoromethyl- (CAS 301321-75-5) is a chemical compound with molecular formula C15H16F4N2O2 and molecular weight 332.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-tert-butyl-5-hydroxy-3-(trifluoromethyl)-4H-pyrazol-1-yl]-(2-fluorophenyl)methanone
Also Known As: BAS 00630954, A1472/0064911, 2-Pyrazolin-5-ol, 5-tert-butyl-1-(2-fluorobenzoyl)-3-trifluoromethyl-, [5-tert-butyl-5-hydroxy-3-(trifluoromethyl)-4H-pyrazol-1-yl]-(2-fluorophenyl)methanone, 5-(tert-butyl)-5-hydroxy-3-(trifluoromethyl)(2-pyrazolinyl) 2-fluorophenyl ket one
| Molecular Formula | C15H16F4N2O2 |
|---|---|
| Molecular Weight | 332.11 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 52.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 332.11478 |
| Heavy Atoms | 23 |
| Complexity | 513.0 |
Chemical Identifiers
| CAS Number | 301321-75-5 |
|---|---|
| SMILES | CC(C)(C)C1(CC(=NN1C(=O)C2=CC=CC=C2F)C(F)(F)F)O |
| InChIKey | HIRJLIATPYBMBE-UHFFFAOYSA-N |
Product Overview
2-Pyrazolin-5-ol, 5-tert-butyl-1-(2-fluorobenzoyl)-3-trifluoromethyl- (CAS 301321-75-5), with molecular formula C15H16F4N2O2 and molecular weight 332.11 g/mol. IUPAC: [5-tert-butyl-5-hydroxy-3-(trifluoromethyl)-4H-pyrazol-1-yl]-(2-fluorophenyl)methanone.
Chemical Property Profile of 2-Pyrazolin-5-ol, 5-tert-butyl-1-(2-fluorobenzoyl)-3-trifluoromethyl-
Property Insights of 2-Pyrazolin-5-ol, 5-tert-butyl-1-(2-fluorobenzoyl)-3-trifluoromethyl-
The XLogP value of 4.0 indicates that 2-Pyrazolin-5-ol, 5-tert-butyl-1-(2-fluorobenzoyl)-3-trifluoromethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.9 Ų, 2-Pyrazolin-5-ol, 5-tert-butyl-1-(2-fluorobenzoyl)-3-trifluoromethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Pyrazolin-5-ol, 5-tert-butyl-1-(2-fluorobenzoyl)-3-trifluoromethyl- has 1 hydrogen bond donor(s) and 7 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 2-Pyrazolin-5-ol, 5-tert-butyl-1-(2-fluorobenzoyl)-3-trifluoromethyl-?
The CAS number of 2-Pyrazolin-5-ol, 5-tert-butyl-1-(2-fluorobenzoyl)-3-trifluoromethyl- is 301321-75-5.
What is the molecular formula of 2-Pyrazolin-5-ol, 5-tert-butyl-1-(2-fluorobenzoyl)-3-trifluoromethyl-?
The molecular formula of 2-Pyrazolin-5-ol, 5-tert-butyl-1-(2-fluorobenzoyl)-3-trifluoromethyl- is C15H16F4N2O2.
What is the molecular weight of 2-Pyrazolin-5-ol, 5-tert-butyl-1-(2-fluorobenzoyl)-3-trifluoromethyl-?
The molecular weight of 2-Pyrazolin-5-ol, 5-tert-butyl-1-(2-fluorobenzoyl)-3-trifluoromethyl- is 332.11 g/mol.
Where can I buy 2-Pyrazolin-5-ol, 5-tert-butyl-1-(2-fluorobenzoyl)-3-trifluoromethyl-?
You can request a quote for 2-Pyrazolin-5-ol, 5-tert-butyl-1-(2-fluorobenzoyl)-3-trifluoromethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Pyrazolin-5-ol, 5-tert-butyl-1-(2-fluorobenzoyl)-3-trifluoromethyl-?
Yes, KEHONG BIO provides custom synthesis services for 2-Pyrazolin-5-ol, 5-tert-butyl-1-(2-fluorobenzoyl)-3-trifluoromethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.