![methyl 4-({[5-oxo-3-(trifluoromethyl)-1,5-dihydro-4H-pyrazol-4-yliden]methyl}amino)benzenecarboxylate structure](/static/products/3391/339107-12-9.webp)
methyl 4-({[5-oxo-3-(trifluoromethyl)-1,5-dihydro-4H-pyrazol-4-yliden]methyl}amino)benzenecarboxylate
TL;DR: methyl 4-({[5-oxo-3-(trifluoromethyl)-1,5-dihydro-4H-pyrazol-4-yliden]methyl}amino)benzenecarboxylate (CAS 339107-12-9) is a chemical compound with molecular formula C13H10F3N3O3 and molecular weight 313.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[3-oxo-5-(trifluoromethyl)-1,2-dihydropyrazol-4-yl]methylideneamino]benzoate
Also Known As: methyl 4-({[5-oxo-3-(trifluoromethyl)-1,5-dihydro-4H-pyrazol-4-yliden]methyl}amino)benzenecarboxylate, methyl 4-({[5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-4-ylidene]methyl}amino)benzoate, methyl 4-[[(Z)-[5-oxo-3-(trifluoromethyl)-1H-pyrazol-4-ylidene]methyl]amino]benzoate, methyl 4-[[5-oxo-3-(trifluoromethyl)-1H-pyrazol-4-ylidene]methylamino]benzoate, methyl 4-[[3-oxo-5-(trifluoromethyl)-1,2-dihydropyrazol-4-yl]methylideneamino]benzoate
| Molecular Formula | C13H10F3N3O3 |
|---|---|
| Molecular Weight | 313.07 g/mol |
| LogP | 2.259 |
| Topological Polar Surface Area | 87.31 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 313.0674 |
| Heavy Atoms | 22 |
| Complexity | 757.318 |
Chemical Identifiers
| CAS Number | 339107-12-9 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)N=CC2=C(NNC2=O)C(F)(F)F |
Product Overview
methyl 4-({[5-oxo-3-(trifluoromethyl)-1,5-dihydro-4H-pyrazol-4-yliden]methyl}amino)benzenecarboxylate (CAS 339107-12-9), with molecular formula C13H10F3N3O3 and molecular weight 313.07 g/mol. IUPAC: methyl 4-[[3-oxo-5-(trifluoromethyl)-1,2-dihydropyrazol-4-yl]methylideneamino]benzoate.
Chemical Property Profile of methyl 4-({[5-oxo-3-(trifluoromethyl)-1,5-dihydro-4H-pyrazol-4-yliden]methyl}amino)benzenecarboxylate
Property Insights of methyl 4-({[5-oxo-3-(trifluoromethyl)-1,5-dihydro-4H-pyrazol-4-yliden]methyl}amino)benzenecarboxylate
The XLogP value of 2.259 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-({[5-oxo-3-(trifluoromethyl)-1,5-dihydro-4H-pyrazol-4-yliden]methyl}amino)benzenecarboxylate. The TPSA of 87.31 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-({[5-oxo-3-(trifluoromethyl)-1,5-dihydro-4H-pyrazol-4-yliden]methyl}amino)benzenecarboxylate. Following Lipinski's Rule of Five, methyl 4-({[5-oxo-3-(trifluoromethyl)-1,5-dihydro-4H-pyrazol-4-yliden]methyl}amino)benzenecarboxylate 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 methyl 4-({[5-oxo-3-(trifluoromethyl)-1,5-dihydro-4H-pyrazol-4-yliden]methyl}amino)benzenecarboxylate?
The CAS number of methyl 4-({[5-oxo-3-(trifluoromethyl)-1,5-dihydro-4H-pyrazol-4-yliden]methyl}amino)benzenecarboxylate is 339107-12-9.
What is the molecular formula of methyl 4-({[5-oxo-3-(trifluoromethyl)-1,5-dihydro-4H-pyrazol-4-yliden]methyl}amino)benzenecarboxylate?
The molecular formula of methyl 4-({[5-oxo-3-(trifluoromethyl)-1,5-dihydro-4H-pyrazol-4-yliden]methyl}amino)benzenecarboxylate is C13H10F3N3O3.
What is the molecular weight of methyl 4-({[5-oxo-3-(trifluoromethyl)-1,5-dihydro-4H-pyrazol-4-yliden]methyl}amino)benzenecarboxylate?
The molecular weight of methyl 4-({[5-oxo-3-(trifluoromethyl)-1,5-dihydro-4H-pyrazol-4-yliden]methyl}amino)benzenecarboxylate is 313.07 g/mol.
Where can I buy methyl 4-({[5-oxo-3-(trifluoromethyl)-1,5-dihydro-4H-pyrazol-4-yliden]methyl}amino)benzenecarboxylate?
You can request a quote for methyl 4-({[5-oxo-3-(trifluoromethyl)-1,5-dihydro-4H-pyrazol-4-yliden]methyl}amino)benzenecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-({[5-oxo-3-(trifluoromethyl)-1,5-dihydro-4H-pyrazol-4-yliden]methyl}amino)benzenecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-({[5-oxo-3-(trifluoromethyl)-1,5-dihydro-4H-pyrazol-4-yliden]methyl}amino)benzenecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.