![[(5-CHLORO-1,3-DIMETHYLPYRAZOL-4-YL)METHYLIDENE]AMINO 3-(TRIFLUOROMETHYL)BENZOATE structure](/static/products/4777/477709-10-7.webp)
[(5-CHLORO-1,3-DIMETHYLPYRAZOL-4-YL)METHYLIDENE]AMINO 3-(TRIFLUOROMETHYL)BENZOATE
TL;DR: [(5-CHLORO-1,3-DIMETHYLPYRAZOL-4-YL)METHYLIDENE]AMINO 3-(TRIFLUOROMETHYL)BENZOATE (CAS 477709-10-7) is a chemical compound with molecular formula C14H11ClF3N3O2 and molecular weight 345.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(5-chloro-1,3-dimethylpyrazol-4-yl)methylideneamino] 3-(trifluoromethyl)benzoate
Also Known As: [(5-CHLORO-1,3-DIMETHYLPYRAZOL-4-YL)METHYLIDENE]AMINO 3-(TRIFLUOROMETHYL)BENZOATE, [(5-chloro-1,3-dimethylpyrazol-4-yl)methylideneamino] 3-(trifluoromethyl)benzoate, N-[(E)-(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)methylidene]-N-{[3-(trifluoromethyl)benzoyl]oxy}amine
| Molecular Formula | C14H11ClF3N3O2 |
|---|---|
| Molecular Weight | 345.05 g/mol |
| LogP | 3.59162 |
| Topological Polar Surface Area | 56.48 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 345.0492 |
| Heavy Atoms | 23 |
| Complexity | 769.11334 |
Chemical Identifiers
| CAS Number | 477709-10-7 |
|---|---|
| SMILES | CC1=NN(C(=C1C=NOC(=O)C2=CC(=CC=C2)C(F)(F)F)Cl)C |
Product Overview
[(5-CHLORO-1,3-DIMETHYLPYRAZOL-4-YL)METHYLIDENE]AMINO 3-(TRIFLUOROMETHYL)BENZOATE (CAS 477709-10-7), with molecular formula C14H11ClF3N3O2 and molecular weight 345.05 g/mol. IUPAC: [(5-chloro-1,3-dimethylpyrazol-4-yl)methylideneamino] 3-(trifluoromethyl)benzoate.
Chemical Property Profile of [(5-CHLORO-1,3-DIMETHYLPYRAZOL-4-YL)METHYLIDENE]AMINO 3-(TRIFLUOROMETHYL)BENZOATE
Property Insights of [(5-CHLORO-1,3-DIMETHYLPYRAZOL-4-YL)METHYLIDENE]AMINO 3-(TRIFLUOROMETHYL)BENZOATE
The XLogP value of 3.59162 indicates that [(5-CHLORO-1,3-DIMETHYLPYRAZOL-4-YL)METHYLIDENE]AMINO 3-(TRIFLUOROMETHYL)BENZOATE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.48 Ų, [(5-CHLORO-1,3-DIMETHYLPYRAZOL-4-YL)METHYLIDENE]AMINO 3-(TRIFLUOROMETHYL)BENZOATE exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [(5-CHLORO-1,3-DIMETHYLPYRAZOL-4-YL)METHYLIDENE]AMINO 3-(TRIFLUOROMETHYL)BENZOATE has 0 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 [(5-CHLORO-1,3-DIMETHYLPYRAZOL-4-YL)METHYLIDENE]AMINO 3-(TRIFLUOROMETHYL)BENZOATE?
The CAS number of [(5-CHLORO-1,3-DIMETHYLPYRAZOL-4-YL)METHYLIDENE]AMINO 3-(TRIFLUOROMETHYL)BENZOATE is 477709-10-7.
What is the molecular formula of [(5-CHLORO-1,3-DIMETHYLPYRAZOL-4-YL)METHYLIDENE]AMINO 3-(TRIFLUOROMETHYL)BENZOATE?
The molecular formula of [(5-CHLORO-1,3-DIMETHYLPYRAZOL-4-YL)METHYLIDENE]AMINO 3-(TRIFLUOROMETHYL)BENZOATE is C14H11ClF3N3O2.
What is the molecular weight of [(5-CHLORO-1,3-DIMETHYLPYRAZOL-4-YL)METHYLIDENE]AMINO 3-(TRIFLUOROMETHYL)BENZOATE?
The molecular weight of [(5-CHLORO-1,3-DIMETHYLPYRAZOL-4-YL)METHYLIDENE]AMINO 3-(TRIFLUOROMETHYL)BENZOATE is 345.05 g/mol.
Where can I buy [(5-CHLORO-1,3-DIMETHYLPYRAZOL-4-YL)METHYLIDENE]AMINO 3-(TRIFLUOROMETHYL)BENZOATE?
You can request a quote for [(5-CHLORO-1,3-DIMETHYLPYRAZOL-4-YL)METHYLIDENE]AMINO 3-(TRIFLUOROMETHYL)BENZOATE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(5-CHLORO-1,3-DIMETHYLPYRAZOL-4-YL)METHYLIDENE]AMINO 3-(TRIFLUOROMETHYL)BENZOATE?
Yes, KEHONG BIO provides custom synthesis services for [(5-CHLORO-1,3-DIMETHYLPYRAZOL-4-YL)METHYLIDENE]AMINO 3-(TRIFLUOROMETHYL)BENZOATE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.