![4-{[(2,4-dichlorobenzoyl)oxy]imino}-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-one structure](/static/products/866/866038-78-0.png)
4-{[(2,4-dichlorobenzoyl)oxy]imino}-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-one
TL;DR: 4-{[(2,4-dichlorobenzoyl)oxy]imino}-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-one (CAS 866038-78-0) is a chemical compound with molecular formula C12H6Cl2F3N3O3 and molecular weight 366.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[1-methyl-5-oxo-3-(trifluoromethyl)pyrazol-4-ylidene]amino] 2,4-dichlorobenzoate
Also Known As: 4-{[(2,4-dichlorobenzoyl)oxy]imino}-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-one, [[1-methyl-5-oxo-3-(trifluoromethyl)pyrazol-4-ylidene]amino] 2,4-dichlorobenzoate, [1-METHYL-5-OXO-3-(TRIFLUOROMETHYL)PYRAZOL-4-YLIDENE]AMINO 2,4-DICHLOROBENZOATE
| Molecular Formula | C12H6Cl2F3N3O3 |
|---|---|
| Molecular Weight | 366.97 g/mol |
| LogP | 2.8965 |
| Topological Polar Surface Area | 71.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 366.97382 |
| Heavy Atoms | 23 |
| Complexity | 746.8018 |
Chemical Identifiers
| CAS Number | 866038-78-0 |
|---|---|
| SMILES | CN1C(=O)C(=NOC(=O)C2=C(C=C(C=C2)Cl)Cl)C(=N1)C(F)(F)F |
Product Overview
4-{[(2,4-dichlorobenzoyl)oxy]imino}-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-one (CAS 866038-78-0), with molecular formula C12H6Cl2F3N3O3 and molecular weight 366.97 g/mol. IUPAC: [[1-methyl-5-oxo-3-(trifluoromethyl)pyrazol-4-ylidene]amino] 2,4-dichlorobenzoate.
Chemical Property Profile of 4-{[(2,4-dichlorobenzoyl)oxy]imino}-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-one
Property Insights of 4-{[(2,4-dichlorobenzoyl)oxy]imino}-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-one
The XLogP value of 2.8965 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{[(2,4-dichlorobenzoyl)oxy]imino}-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-one. The TPSA of 71.33 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{[(2,4-dichlorobenzoyl)oxy]imino}-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-one. Following Lipinski's Rule of Five, 4-{[(2,4-dichlorobenzoyl)oxy]imino}-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-one has 0 hydrogen bond donor(s) and 5 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-{[(2,4-dichlorobenzoyl)oxy]imino}-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-one?
The CAS number of 4-{[(2,4-dichlorobenzoyl)oxy]imino}-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-one is 866038-78-0.
What is the molecular formula of 4-{[(2,4-dichlorobenzoyl)oxy]imino}-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-one?
The molecular formula of 4-{[(2,4-dichlorobenzoyl)oxy]imino}-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-one is C12H6Cl2F3N3O3.
What is the molecular weight of 4-{[(2,4-dichlorobenzoyl)oxy]imino}-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-one?
The molecular weight of 4-{[(2,4-dichlorobenzoyl)oxy]imino}-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-one is 366.97 g/mol.
Where can I buy 4-{[(2,4-dichlorobenzoyl)oxy]imino}-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-one?
You can request a quote for 4-{[(2,4-dichlorobenzoyl)oxy]imino}-1-methyl-3-(trifluoromethyl)-1H-pyrazol-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-{[(2,4-dichlorobenzoyl)oxy]imino}-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-one?
Yes, KEHONG BIO provides custom synthesis services for 4-{[(2,4-dichlorobenzoyl)oxy]imino}-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.