![[(5-Chloro-1,3-dimethylpyrazol-4-yl)methylideneamino] 4-fluorobenzoate structure](/static/products/4777/477709-09-4.webp)
[(5-Chloro-1,3-dimethylpyrazol-4-yl)methylideneamino] 4-fluorobenzoate
TL;DR: [(5-Chloro-1,3-dimethylpyrazol-4-yl)methylideneamino] 4-fluorobenzoate (CAS 477709-09-4) is a chemical compound with molecular formula C13H11ClFN3O2 and molecular weight 295.05 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] 4-fluorobenzoate
Also Known As: [(5-chloro-1,3-dimethylpyrazol-4-yl)methylideneamino] 4-fluorobenzoate, 5-chloro-4-({[(4-fluorobenzoyl)oxy]imino}methyl)-1,3-dimethyl-1H-pyrazole, [(5-CHLORO-1,3-DIMETHYLPYRAZOL-4-YL)METHYLIDENE]AMINO 4-FLUOROBENZOATE
| Molecular Formula | C13H11ClFN3O2 |
|---|---|
| Molecular Weight | 295.05 g/mol |
| LogP | 2.71192 |
| Topological Polar Surface Area | 56.48 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 295.05237 |
| Heavy Atoms | 20 |
| Complexity | 665.001 |
Chemical Identifiers
| CAS Number | 477709-09-4 |
|---|---|
| SMILES | CC1=NN(C(=C1C=NOC(=O)C2=CC=C(C=C2)F)Cl)C |
Product Overview
[(5-Chloro-1,3-dimethylpyrazol-4-yl)methylideneamino] 4-fluorobenzoate (CAS 477709-09-4), with molecular formula C13H11ClFN3O2 and molecular weight 295.05 g/mol. IUPAC: [(5-chloro-1,3-dimethylpyrazol-4-yl)methylideneamino] 4-fluorobenzoate.
Chemical Property Profile of [(5-Chloro-1,3-dimethylpyrazol-4-yl)methylideneamino] 4-fluorobenzoate
Property Insights of [(5-Chloro-1,3-dimethylpyrazol-4-yl)methylideneamino] 4-fluorobenzoate
The XLogP value of 2.71192 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(5-Chloro-1,3-dimethylpyrazol-4-yl)methylideneamino] 4-fluorobenzoate. With a topological polar surface area (TPSA) of 56.48 Ų, [(5-Chloro-1,3-dimethylpyrazol-4-yl)methylideneamino] 4-fluorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [(5-Chloro-1,3-dimethylpyrazol-4-yl)methylideneamino] 4-fluorobenzoate 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)methylideneamino] 4-fluorobenzoate?
The CAS number of [(5-Chloro-1,3-dimethylpyrazol-4-yl)methylideneamino] 4-fluorobenzoate is 477709-09-4.
What is the molecular formula of [(5-Chloro-1,3-dimethylpyrazol-4-yl)methylideneamino] 4-fluorobenzoate?
The molecular formula of [(5-Chloro-1,3-dimethylpyrazol-4-yl)methylideneamino] 4-fluorobenzoate is C13H11ClFN3O2.
What is the molecular weight of [(5-Chloro-1,3-dimethylpyrazol-4-yl)methylideneamino] 4-fluorobenzoate?
The molecular weight of [(5-Chloro-1,3-dimethylpyrazol-4-yl)methylideneamino] 4-fluorobenzoate is 295.05 g/mol.
Where can I buy [(5-Chloro-1,3-dimethylpyrazol-4-yl)methylideneamino] 4-fluorobenzoate?
You can request a quote for [(5-Chloro-1,3-dimethylpyrazol-4-yl)methylideneamino] 4-fluorobenzoate 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)methylideneamino] 4-fluorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for [(5-Chloro-1,3-dimethylpyrazol-4-yl)methylideneamino] 4-fluorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.