![[[5-[(4-chlorophenyl)methylsulfanyl]-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylideneamino] 2-chloroacetate structure](/static/products/3215/321553-51-9.webp)
[[5-[(4-chlorophenyl)methylsulfanyl]-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylideneamino] 2-chloroacetate
TL;DR: [[5-[(4-chlorophenyl)methylsulfanyl]-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylideneamino] 2-chloroacetate (CAS 321553-51-9) is a chemical compound with molecular formula C15H12Cl2F3N3O2S and molecular weight 425.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[5-[(4-chlorophenyl)methylsulfanyl]-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylideneamino] 2-chloroacetate
Also Known As: [[5-[(4-chlorophenyl)methylsulfanyl]-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylideneamino] 2-chloroacetate, 4-({[(2-chloroacetyl)oxy]imino}methyl)-5-[(4-chlorobenzyl)sulfanyl]-1-methyl-3-(trifluoromethyl)-1H-pyrazole, 5-[[(4-Chlorophenyl)methyl]thio]-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxaldehyde O-(2-chloroacetyl)oxime
| Molecular Formula | C15H12Cl2F3N3O2S |
|---|---|
| Molecular Weight | 425.00 g/mol |
| LogP | 4.5005 |
| Topological Polar Surface Area | 56.48 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 424.99792 |
| Heavy Atoms | 26 |
| Complexity | 807.7033 |
Chemical Identifiers
| CAS Number | 321553-51-9 |
|---|---|
| SMILES | CN1C(=C(C(=N1)C(F)(F)F)C=NOC(=O)CCl)SCC2=CC=C(C=C2)Cl |
Product Overview
[[5-[(4-chlorophenyl)methylsulfanyl]-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylideneamino] 2-chloroacetate (CAS 321553-51-9), with molecular formula C15H12Cl2F3N3O2S and molecular weight 425.00 g/mol. IUPAC: [[5-[(4-chlorophenyl)methylsulfanyl]-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylideneamino] 2-chloroacetate.
Chemical Property Profile of [[5-[(4-chlorophenyl)methylsulfanyl]-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylideneamino] 2-chloroacetate
Property Insights of [[5-[(4-chlorophenyl)methylsulfanyl]-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylideneamino] 2-chloroacetate
The XLogP value of 4.5005 indicates that [[5-[(4-chlorophenyl)methylsulfanyl]-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylideneamino] 2-chloroacetate 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)methylsulfanyl]-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylideneamino] 2-chloroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [[5-[(4-chlorophenyl)methylsulfanyl]-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylideneamino] 2-chloroacetate has 0 hydrogen bond donor(s) and 5 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-[(4-chlorophenyl)methylsulfanyl]-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylideneamino] 2-chloroacetate?
The CAS number of [[5-[(4-chlorophenyl)methylsulfanyl]-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylideneamino] 2-chloroacetate is 321553-51-9.
What is the molecular formula of [[5-[(4-chlorophenyl)methylsulfanyl]-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylideneamino] 2-chloroacetate?
The molecular formula of [[5-[(4-chlorophenyl)methylsulfanyl]-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylideneamino] 2-chloroacetate is C15H12Cl2F3N3O2S.
What is the molecular weight of [[5-[(4-chlorophenyl)methylsulfanyl]-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylideneamino] 2-chloroacetate?
The molecular weight of [[5-[(4-chlorophenyl)methylsulfanyl]-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylideneamino] 2-chloroacetate is 425.00 g/mol.
Where can I buy [[5-[(4-chlorophenyl)methylsulfanyl]-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylideneamino] 2-chloroacetate?
You can request a quote for [[5-[(4-chlorophenyl)methylsulfanyl]-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylideneamino] 2-chloroacetate 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)methylsulfanyl]-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylideneamino] 2-chloroacetate?
Yes, KEHONG BIO provides custom synthesis services for [[5-[(4-chlorophenyl)methylsulfanyl]-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylideneamino] 2-chloroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.