3-(Tert-butyl)-1-(2,3,5,6-tetrafluoro-4-methylphenyl)-2-pyrazolin-5-one
TL;DR: 3-(Tert-butyl)-1-(2,3,5,6-tetrafluoro-4-methylphenyl)-2-pyrazolin-5-one (CAS 1022308-16-2) is a chemical compound with molecular formula C14H14F4N2O and molecular weight 302.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-tert-butyl-2-(2,3,5,6-tetrafluoro-4-methylphenyl)-4H-pyrazol-3-one
Also Known As: 3-(TERT-BUTYL)-1-(2,3,5,6-TETRAFLUORO-4-METHYLPHENYL)-2-PYRAZOLIN-5-ONE, 5-tert-butyl-2-(2,3,5,6-tetrafluoro-4-methylphenyl)-4H-pyrazol-3-one, 5-tert-butyl-2-(2,3,5,6-tetrafluoro-4-methyl-phenyl)-4H-pyrazol-3-one, 3-tert-butyl-1-(2,3,5,6-tetrafluoro-4-methylphenyl)-4,5-dihydro-1H-pyrazol-5-one
| Molecular Formula | C14H14F4N2O |
|---|---|
| Molecular Weight | 302.10 g/mol |
| LogP | 3.69022 |
| Topological Polar Surface Area | 32.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 302.10422 |
| Heavy Atoms | 21 |
| Complexity | 632.91345 |
Chemical Identifiers
| CAS Number | 1022308-16-2 |
|---|---|
| SMILES | CC1=C(C(=C(C(=C1F)F)N2C(=O)CC(=N2)C(C)(C)C)F)F |
Product Overview
3-(Tert-butyl)-1-(2,3,5,6-tetrafluoro-4-methylphenyl)-2-pyrazolin-5-one (CAS 1022308-16-2), with molecular formula C14H14F4N2O and molecular weight 302.10 g/mol. IUPAC: 5-tert-butyl-2-(2,3,5,6-tetrafluoro-4-methylphenyl)-4H-pyrazol-3-one.
Chemical Property Profile of 3-(Tert-butyl)-1-(2,3,5,6-tetrafluoro-4-methylphenyl)-2-pyrazolin-5-one
Property Insights of 3-(Tert-butyl)-1-(2,3,5,6-tetrafluoro-4-methylphenyl)-2-pyrazolin-5-one
The XLogP value of 3.69022 indicates that 3-(Tert-butyl)-1-(2,3,5,6-tetrafluoro-4-methylphenyl)-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 32.67 Ų, 3-(Tert-butyl)-1-(2,3,5,6-tetrafluoro-4-methylphenyl)-2-pyrazolin-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Tert-butyl)-1-(2,3,5,6-tetrafluoro-4-methylphenyl)-2-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 3-(Tert-butyl)-1-(2,3,5,6-tetrafluoro-4-methylphenyl)-2-pyrazolin-5-one?
The CAS number of 3-(Tert-butyl)-1-(2,3,5,6-tetrafluoro-4-methylphenyl)-2-pyrazolin-5-one is 1022308-16-2.
What is the molecular formula of 3-(Tert-butyl)-1-(2,3,5,6-tetrafluoro-4-methylphenyl)-2-pyrazolin-5-one?
The molecular formula of 3-(Tert-butyl)-1-(2,3,5,6-tetrafluoro-4-methylphenyl)-2-pyrazolin-5-one is C14H14F4N2O.
What is the molecular weight of 3-(Tert-butyl)-1-(2,3,5,6-tetrafluoro-4-methylphenyl)-2-pyrazolin-5-one?
The molecular weight of 3-(Tert-butyl)-1-(2,3,5,6-tetrafluoro-4-methylphenyl)-2-pyrazolin-5-one is 302.10 g/mol.
Where can I buy 3-(Tert-butyl)-1-(2,3,5,6-tetrafluoro-4-methylphenyl)-2-pyrazolin-5-one?
You can request a quote for 3-(Tert-butyl)-1-(2,3,5,6-tetrafluoro-4-methylphenyl)-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)-1-(2,3,5,6-tetrafluoro-4-methylphenyl)-2-pyrazolin-5-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(Tert-butyl)-1-(2,3,5,6-tetrafluoro-4-methylphenyl)-2-pyrazolin-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.