![[(5-Chloro-1,3-dimethylpyrazol-4-yl)methylideneamino] 2,6-difluorobenzoate structure](/static/products/956/956797-71-0.png)
[(5-Chloro-1,3-dimethylpyrazol-4-yl)methylideneamino] 2,6-difluorobenzoate
TL;DR: [(5-Chloro-1,3-dimethylpyrazol-4-yl)methylideneamino] 2,6-difluorobenzoate (CAS 956797-71-0) is a chemical compound with molecular formula C13H10ClF2N3O2 and molecular weight 313.04 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] 2,6-difluorobenzoate
Also Known As: [(5-chloro-1,3-dimethylpyrazol-4-yl)methylideneamino] 2,6-difluorobenzoate, [(5-CHLORO-1,3-DIMETHYLPYRAZOL-4-YL)METHYLIDENE]AMINO 2,6-DIFLUOROBENZOATE, 5-chloro-4-({[(2,6-difluorobenzoyl)oxy]imino}methyl)-1,3-dimethyl-1H-pyrazole
| Molecular Formula | C13H10ClF2N3O2 |
|---|---|
| Molecular Weight | 313.04 g/mol |
| LogP | 2.85102 |
| Topological Polar Surface Area | 56.48 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 313.04297 |
| Heavy Atoms | 21 |
| Complexity | 708.1967 |
Chemical Identifiers
| CAS Number | 956797-71-0 |
|---|---|
| SMILES | CC1=NN(C(=C1C=NOC(=O)C2=C(C=CC=C2F)F)Cl)C |
Product Overview
[(5-Chloro-1,3-dimethylpyrazol-4-yl)methylideneamino] 2,6-difluorobenzoate (CAS 956797-71-0), with molecular formula C13H10ClF2N3O2 and molecular weight 313.04 g/mol. IUPAC: [(5-chloro-1,3-dimethylpyrazol-4-yl)methylideneamino] 2,6-difluorobenzoate.
Chemical Property Profile of [(5-Chloro-1,3-dimethylpyrazol-4-yl)methylideneamino] 2,6-difluorobenzoate
Property Insights of [(5-Chloro-1,3-dimethylpyrazol-4-yl)methylideneamino] 2,6-difluorobenzoate
The XLogP value of 2.85102 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(5-Chloro-1,3-dimethylpyrazol-4-yl)methylideneamino] 2,6-difluorobenzoate. With a topological polar surface area (TPSA) of 56.48 Ų, [(5-Chloro-1,3-dimethylpyrazol-4-yl)methylideneamino] 2,6-difluorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [(5-Chloro-1,3-dimethylpyrazol-4-yl)methylideneamino] 2,6-difluorobenzoate 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] 2,6-difluorobenzoate?
The CAS number of [(5-Chloro-1,3-dimethylpyrazol-4-yl)methylideneamino] 2,6-difluorobenzoate is 956797-71-0.
What is the molecular formula of [(5-Chloro-1,3-dimethylpyrazol-4-yl)methylideneamino] 2,6-difluorobenzoate?
The molecular formula of [(5-Chloro-1,3-dimethylpyrazol-4-yl)methylideneamino] 2,6-difluorobenzoate is C13H10ClF2N3O2.
What is the molecular weight of [(5-Chloro-1,3-dimethylpyrazol-4-yl)methylideneamino] 2,6-difluorobenzoate?
The molecular weight of [(5-Chloro-1,3-dimethylpyrazol-4-yl)methylideneamino] 2,6-difluorobenzoate is 313.04 g/mol.
Where can I buy [(5-Chloro-1,3-dimethylpyrazol-4-yl)methylideneamino] 2,6-difluorobenzoate?
You can request a quote for [(5-Chloro-1,3-dimethylpyrazol-4-yl)methylideneamino] 2,6-difluorobenzoate 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] 2,6-difluorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for [(5-Chloro-1,3-dimethylpyrazol-4-yl)methylideneamino] 2,6-difluorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.