4-(Hydroxyiminomethyl)-3-(trifluoromethyl)-1,4-dihydropyrazol-5-one
TL;DR: 4-(Hydroxyiminomethyl)-3-(trifluoromethyl)-1,4-dihydropyrazol-5-one (CAS 339107-18-5) is a chemical compound with molecular formula C5H4F3N3O2 and molecular weight 195.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(hydroxyiminomethyl)-3-(trifluoromethyl)-1,4-dihydropyrazol-5-one
Also Known As: 5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazole-4-carbaldehyde oxime, 4-(hydroxyiminomethyl)-3-(trifluoromethyl)-1,4-dihydropyrazol-5-one, 4-(hydroxyiminomethyl)-5-(trifluoromethyl)-2,4-dihydropyrazol-3-one
| Molecular Formula | C5H4F3N3O2 |
|---|---|
| Molecular Weight | 195.03 g/mol |
| LogP | 0.1107 |
| Topological Polar Surface Area | 74.05 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 195.02556 |
| Heavy Atoms | 13 |
| Complexity | 283.2394 |
Chemical Identifiers
| CAS Number | 339107-18-5 |
|---|---|
| SMILES | C(=NO)C1C(=NNC1=O)C(F)(F)F |
Product Overview
4-(Hydroxyiminomethyl)-3-(trifluoromethyl)-1,4-dihydropyrazol-5-one (CAS 339107-18-5), with molecular formula C5H4F3N3O2 and molecular weight 195.03 g/mol. IUPAC: 4-(hydroxyiminomethyl)-3-(trifluoromethyl)-1,4-dihydropyrazol-5-one.
Chemical Property Profile of 4-(Hydroxyiminomethyl)-3-(trifluoromethyl)-1,4-dihydropyrazol-5-one
Property Insights of 4-(Hydroxyiminomethyl)-3-(trifluoromethyl)-1,4-dihydropyrazol-5-one
The XLogP value of 0.1107 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Hydroxyiminomethyl)-3-(trifluoromethyl)-1,4-dihydropyrazol-5-one. The TPSA of 74.05 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Hydroxyiminomethyl)-3-(trifluoromethyl)-1,4-dihydropyrazol-5-one. Following Lipinski's Rule of Five, 4-(Hydroxyiminomethyl)-3-(trifluoromethyl)-1,4-dihydropyrazol-5-one has 2 hydrogen bond donor(s) and 4 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-(Hydroxyiminomethyl)-3-(trifluoromethyl)-1,4-dihydropyrazol-5-one?
The CAS number of 4-(Hydroxyiminomethyl)-3-(trifluoromethyl)-1,4-dihydropyrazol-5-one is 339107-18-5.
What is the molecular formula of 4-(Hydroxyiminomethyl)-3-(trifluoromethyl)-1,4-dihydropyrazol-5-one?
The molecular formula of 4-(Hydroxyiminomethyl)-3-(trifluoromethyl)-1,4-dihydropyrazol-5-one is C5H4F3N3O2.
What is the molecular weight of 4-(Hydroxyiminomethyl)-3-(trifluoromethyl)-1,4-dihydropyrazol-5-one?
The molecular weight of 4-(Hydroxyiminomethyl)-3-(trifluoromethyl)-1,4-dihydropyrazol-5-one is 195.03 g/mol.
Where can I buy 4-(Hydroxyiminomethyl)-3-(trifluoromethyl)-1,4-dihydropyrazol-5-one?
You can request a quote for 4-(Hydroxyiminomethyl)-3-(trifluoromethyl)-1,4-dihydropyrazol-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-(Hydroxyiminomethyl)-3-(trifluoromethyl)-1,4-dihydropyrazol-5-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(Hydroxyiminomethyl)-3-(trifluoromethyl)-1,4-dihydropyrazol-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.