3-Methyl-1-(2,3,5,6-tetrafluoro-4-methylphenyl)-2-pyrazolin-5-one
TL;DR: 3-Methyl-1-(2,3,5,6-tetrafluoro-4-methylphenyl)-2-pyrazolin-5-one (CAS 376593-04-3) is a chemical compound with molecular formula C11H8F4N2O and molecular weight 260.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-2-(2,3,5,6-tetrafluoro-4-methylphenyl)-4H-pyrazol-3-one
Also Known As: 3-METHYL-1-(2,3,5,6-TETRAFLUORO-4-METHYLPHENYL)-2-PYRAZOLIN-5-ONE, 3-methyl-1-(2,3,5,6-tetrafluoro-4-methylphenyl)-4,5-dihydro-1H-pyrazol-5-one, 5-methyl-2-(2,3,5,6-tetrafluoro-4-methyl-phenyl)-4H-pyrazol-3-one, 5-methyl-2-(2,3,5,6-tetrafluoro-4-methylphenyl)-4H-pyrazol-3-one
| Molecular Formula | C11H8F4N2O |
|---|---|
| Molecular Weight | 260.06 g/mol |
| LogP | 2.66402 |
| Topological Polar Surface Area | 32.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 260.05728 |
| Heavy Atoms | 18 |
| Complexity | 553.8913 |
Chemical Identifiers
| CAS Number | 376593-04-3 |
|---|---|
| SMILES | CC1=NN(C(=O)C1)C2=C(C(=C(C(=C2F)F)C)F)F |
Product Overview
3-Methyl-1-(2,3,5,6-tetrafluoro-4-methylphenyl)-2-pyrazolin-5-one (CAS 376593-04-3), with molecular formula C11H8F4N2O and molecular weight 260.06 g/mol. IUPAC: 5-methyl-2-(2,3,5,6-tetrafluoro-4-methylphenyl)-4H-pyrazol-3-one.
Chemical Property Profile of 3-Methyl-1-(2,3,5,6-tetrafluoro-4-methylphenyl)-2-pyrazolin-5-one
Property Insights of 3-Methyl-1-(2,3,5,6-tetrafluoro-4-methylphenyl)-2-pyrazolin-5-one
The XLogP value of 2.66402 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-1-(2,3,5,6-tetrafluoro-4-methylphenyl)-2-pyrazolin-5-one. With a topological polar surface area (TPSA) of 32.67 Ų, 3-Methyl-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-Methyl-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-Methyl-1-(2,3,5,6-tetrafluoro-4-methylphenyl)-2-pyrazolin-5-one?
The CAS number of 3-Methyl-1-(2,3,5,6-tetrafluoro-4-methylphenyl)-2-pyrazolin-5-one is 376593-04-3.
What is the molecular formula of 3-Methyl-1-(2,3,5,6-tetrafluoro-4-methylphenyl)-2-pyrazolin-5-one?
The molecular formula of 3-Methyl-1-(2,3,5,6-tetrafluoro-4-methylphenyl)-2-pyrazolin-5-one is C11H8F4N2O.
What is the molecular weight of 3-Methyl-1-(2,3,5,6-tetrafluoro-4-methylphenyl)-2-pyrazolin-5-one?
The molecular weight of 3-Methyl-1-(2,3,5,6-tetrafluoro-4-methylphenyl)-2-pyrazolin-5-one is 260.06 g/mol.
Where can I buy 3-Methyl-1-(2,3,5,6-tetrafluoro-4-methylphenyl)-2-pyrazolin-5-one?
You can request a quote for 3-Methyl-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-Methyl-1-(2,3,5,6-tetrafluoro-4-methylphenyl)-2-pyrazolin-5-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-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.