![[[5-[(2-chlorophenyl)methylsulfanyl]-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylideneamino] 4-methoxybenzoate structure](/static/products/3215/321553-41-7.webp)
[[5-[(2-chlorophenyl)methylsulfanyl]-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylideneamino] 4-methoxybenzoate
TL;DR: [[5-[(2-chlorophenyl)methylsulfanyl]-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylideneamino] 4-methoxybenzoate (CAS 321553-41-7) is a chemical compound with molecular formula C21H17ClF3N3O3S and molecular weight 483.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[[5-[(2-chlorophenyl)methylsulfanyl]-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylideneamino] 4-methoxybenzoate
Also Known As: [[5-[(2-chlorophenyl)methylsulfanyl]-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylideneamino] 4-methoxybenzoate, N-{[5-[(2-chlorobenzyl)sulfanyl]-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methylene}-N-[(4-methoxybenzoyl)oxy]amine
| Molecular Formula | C21H17ClF3N3O3S |
|---|---|
| Molecular Weight | 483.06 g/mol |
| LogP | 5.5841 |
| Topological Polar Surface Area | 65.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 483.0631 |
| Heavy Atoms | 32 |
| Complexity | 1131.554 |
Chemical Identifiers
| CAS Number | 321553-41-7 |
|---|---|
| SMILES | CN1C(=C(C(=N1)C(F)(F)F)C=NOC(=O)C2=CC=C(C=C2)OC)SCC3=CC=CC=C3Cl |
Product Overview
[[5-[(2-chlorophenyl)methylsulfanyl]-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylideneamino] 4-methoxybenzoate (CAS 321553-41-7), with molecular formula C21H17ClF3N3O3S and molecular weight 483.06 g/mol. IUPAC: [[5-[(2-chlorophenyl)methylsulfanyl]-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylideneamino] 4-methoxybenzoate.
Chemical Property Profile of [[5-[(2-chlorophenyl)methylsulfanyl]-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylideneamino] 4-methoxybenzoate
Property Insights of [[5-[(2-chlorophenyl)methylsulfanyl]-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylideneamino] 4-methoxybenzoate
The XLogP value of 5.5841 indicates that [[5-[(2-chlorophenyl)methylsulfanyl]-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylideneamino] 4-methoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.71 Ų falls within the moderate polarity range, balancing permeability and solubility for [[5-[(2-chlorophenyl)methylsulfanyl]-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylideneamino] 4-methoxybenzoate. Following Lipinski's Rule of Five, [[5-[(2-chlorophenyl)methylsulfanyl]-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylideneamino] 4-methoxybenzoate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of [[5-[(2-chlorophenyl)methylsulfanyl]-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylideneamino] 4-methoxybenzoate?
The CAS number of [[5-[(2-chlorophenyl)methylsulfanyl]-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylideneamino] 4-methoxybenzoate is 321553-41-7.
What is the molecular formula of [[5-[(2-chlorophenyl)methylsulfanyl]-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylideneamino] 4-methoxybenzoate?
The molecular formula of [[5-[(2-chlorophenyl)methylsulfanyl]-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylideneamino] 4-methoxybenzoate is C21H17ClF3N3O3S.
What is the molecular weight of [[5-[(2-chlorophenyl)methylsulfanyl]-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylideneamino] 4-methoxybenzoate?
The molecular weight of [[5-[(2-chlorophenyl)methylsulfanyl]-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylideneamino] 4-methoxybenzoate is 483.06 g/mol.
Where can I buy [[5-[(2-chlorophenyl)methylsulfanyl]-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylideneamino] 4-methoxybenzoate?
You can request a quote for [[5-[(2-chlorophenyl)methylsulfanyl]-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylideneamino] 4-methoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [[5-[(2-chlorophenyl)methylsulfanyl]-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylideneamino] 4-methoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for [[5-[(2-chlorophenyl)methylsulfanyl]-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylideneamino] 4-methoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.