![[[5-(4-chlorophenyl)sulfanyl-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylideneamino] 2,4-dichlorobenzoate structure](/static/products/3215/321553-43-9.webp)
[[5-(4-chlorophenyl)sulfanyl-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylideneamino] 2,4-dichlorobenzoate
TL;DR: [[5-(4-chlorophenyl)sulfanyl-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylideneamino] 2,4-dichlorobenzoate (CAS 321553-43-9) is a chemical compound with molecular formula C19H11Cl3F3N3O2S and molecular weight 506.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[5-(4-chlorophenyl)sulfanyl-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylideneamino] 2,4-dichlorobenzoate
Also Known As: [[5-(4-chlorophenyl)sulfanyl-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylideneamino] 2,4-dichlorobenzoate, N-{[5-[(4-chlorophenyl)sulfanyl]-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methylene}-N-[(2,4-dichlorobenzoyl)oxy]amine
| Molecular Formula | C19H11Cl3F3N3O2S |
|---|---|
| Molecular Weight | 506.96 g/mol |
| LogP | 6.7412 |
| Topological Polar Surface Area | 56.48 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 506.95895 |
| Heavy Atoms | 31 |
| Complexity | 1148.7803 |
Chemical Identifiers
| CAS Number | 321553-43-9 |
|---|---|
| SMILES | CN1C(=C(C(=N1)C(F)(F)F)C=NOC(=O)C2=C(C=C(C=C2)Cl)Cl)SC3=CC=C(C=C3)Cl |
Product Overview
[[5-(4-chlorophenyl)sulfanyl-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylideneamino] 2,4-dichlorobenzoate (CAS 321553-43-9), with molecular formula C19H11Cl3F3N3O2S and molecular weight 506.96 g/mol. IUPAC: [[5-(4-chlorophenyl)sulfanyl-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylideneamino] 2,4-dichlorobenzoate.
Chemical Property Profile of [[5-(4-chlorophenyl)sulfanyl-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylideneamino] 2,4-dichlorobenzoate
Property Insights of [[5-(4-chlorophenyl)sulfanyl-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylideneamino] 2,4-dichlorobenzoate
The XLogP value of 6.7412 indicates that [[5-(4-chlorophenyl)sulfanyl-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylideneamino] 2,4-dichlorobenzoate 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-(4-chlorophenyl)sulfanyl-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylideneamino] 2,4-dichlorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [[5-(4-chlorophenyl)sulfanyl-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylideneamino] 2,4-dichlorobenzoate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [[5-(4-chlorophenyl)sulfanyl-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylideneamino] 2,4-dichlorobenzoate?
The CAS number of [[5-(4-chlorophenyl)sulfanyl-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylideneamino] 2,4-dichlorobenzoate is 321553-43-9.
What is the molecular formula of [[5-(4-chlorophenyl)sulfanyl-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylideneamino] 2,4-dichlorobenzoate?
The molecular formula of [[5-(4-chlorophenyl)sulfanyl-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylideneamino] 2,4-dichlorobenzoate is C19H11Cl3F3N3O2S.
What is the molecular weight of [[5-(4-chlorophenyl)sulfanyl-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylideneamino] 2,4-dichlorobenzoate?
The molecular weight of [[5-(4-chlorophenyl)sulfanyl-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylideneamino] 2,4-dichlorobenzoate is 506.96 g/mol.
Where can I buy [[5-(4-chlorophenyl)sulfanyl-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylideneamino] 2,4-dichlorobenzoate?
You can request a quote for [[5-(4-chlorophenyl)sulfanyl-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylideneamino] 2,4-dichlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [[5-(4-chlorophenyl)sulfanyl-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylideneamino] 2,4-dichlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for [[5-(4-chlorophenyl)sulfanyl-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylideneamino] 2,4-dichlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.