![O1-{[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]carbonyl}-4-chlorobenzene-1-carbohydroxim structure](/static/products/836/836627-31-7.png)
O1-{[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]carbonyl}-4-chlorobenzene-1-carbohydroxim
TL;DR: O1-{[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]carbonyl}-4-chlorobenzene-1-carbohydroxim (CAS 836627-31-7) is a chemical compound with molecular formula C13H9Cl2F3N4O2 and molecular weight 380.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(Z)-[amino-(4-chlorophenyl)methylidene]amino] 5-chloro-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxylate
Also Known As: O1-{[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]carbonyl}-4-chlorobenzene-1-carbohydroxim, O1-{[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]carbonyl}-4-chlorobenzene-1-carbohydroximamide, [(Z)-[Amino-(4-chlorophenyl)methylidene]amino] 5-chloro-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxylate, [amino(4-chlorophenyl)methylidene]amino 5-chloro-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxylate
| Molecular Formula | C13H9Cl2F3N4O2 |
|---|---|
| Molecular Weight | 380.01 g/mol |
| LogP | 3.223 |
| Topological Polar Surface Area | 82.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 380.00546 |
| Heavy Atoms | 24 |
| Complexity | 800.7835 |
Chemical Identifiers
| CAS Number | 836627-31-7 |
|---|---|
| SMILES | CN1C(=C(C(=N1)C(F)(F)F)C(=O)O/N=C(/C2=CC=C(C=C2)Cl)\N)Cl |
Product Overview
O1-{[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]carbonyl}-4-chlorobenzene-1-carbohydroxim (CAS 836627-31-7), with molecular formula C13H9Cl2F3N4O2 and molecular weight 380.01 g/mol. IUPAC: [(Z)-[amino-(4-chlorophenyl)methylidene]amino] 5-chloro-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxylate.
Chemical Property Profile of O1-{[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]carbonyl}-4-chlorobenzene-1-carbohydroxim
Property Insights of O1-{[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]carbonyl}-4-chlorobenzene-1-carbohydroxim
The XLogP value of 3.223 indicates that O1-{[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]carbonyl}-4-chlorobenzene-1-carbohydroxim is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.5 Ų falls within the moderate polarity range, balancing permeability and solubility for O1-{[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]carbonyl}-4-chlorobenzene-1-carbohydroxim. Following Lipinski's Rule of Five, O1-{[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]carbonyl}-4-chlorobenzene-1-carbohydroxim has 1 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 O1-{[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]carbonyl}-4-chlorobenzene-1-carbohydroxim?
The CAS number of O1-{[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]carbonyl}-4-chlorobenzene-1-carbohydroxim is 836627-31-7.
What is the molecular formula of O1-{[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]carbonyl}-4-chlorobenzene-1-carbohydroxim?
The molecular formula of O1-{[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]carbonyl}-4-chlorobenzene-1-carbohydroxim is C13H9Cl2F3N4O2.
What is the molecular weight of O1-{[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]carbonyl}-4-chlorobenzene-1-carbohydroxim?
The molecular weight of O1-{[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]carbonyl}-4-chlorobenzene-1-carbohydroxim is 380.01 g/mol.
Where can I buy O1-{[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]carbonyl}-4-chlorobenzene-1-carbohydroxim?
You can request a quote for O1-{[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]carbonyl}-4-chlorobenzene-1-carbohydroxim directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O1-{[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]carbonyl}-4-chlorobenzene-1-carbohydroxim?
Yes, KEHONG BIO provides custom synthesis services for O1-{[5-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]carbonyl}-4-chlorobenzene-1-carbohydroxim and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.