![[[5-(4-chlorophenyl)sulfanyl-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylideneamino] 4-methylbenzoate structure](/static/products/3215/321553-44-0.webp)
[[5-(4-chlorophenyl)sulfanyl-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylideneamino] 4-methylbenzoate
TL;DR: [[5-(4-chlorophenyl)sulfanyl-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylideneamino] 4-methylbenzoate (CAS 321553-44-0) is a chemical compound with molecular formula C20H15ClF3N3O2S and molecular weight 453.05 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] 4-methylbenzoate
Also Known As: [[5-(4-chlorophenyl)sulfanyl-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylideneamino] 4-methylbenzoate, N-{[5-[(4-chlorophenyl)sulfanyl]-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methylene}-N-[(4-methylbenzoyl)oxy]amine
| Molecular Formula | C20H15ClF3N3O2S |
|---|---|
| Molecular Weight | 453.05 g/mol |
| LogP | 5.74282 |
| Topological Polar Surface Area | 56.48 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 453.05255 |
| Heavy Atoms | 30 |
| Complexity | 1078.4164 |
Chemical Identifiers
| CAS Number | 321553-44-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)ON=CC2=C(N(N=C2C(F)(F)F)C)SC3=CC=C(C=C3)Cl |
Product Overview
[[5-(4-chlorophenyl)sulfanyl-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylideneamino] 4-methylbenzoate (CAS 321553-44-0), with molecular formula C20H15ClF3N3O2S and molecular weight 453.05 g/mol. IUPAC: [[5-(4-chlorophenyl)sulfanyl-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylideneamino] 4-methylbenzoate.
Chemical Property Profile of [[5-(4-chlorophenyl)sulfanyl-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylideneamino] 4-methylbenzoate
Property Insights of [[5-(4-chlorophenyl)sulfanyl-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylideneamino] 4-methylbenzoate
The XLogP value of 5.74282 indicates that [[5-(4-chlorophenyl)sulfanyl-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylideneamino] 4-methylbenzoate 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] 4-methylbenzoate 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] 4-methylbenzoate 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] 4-methylbenzoate?
The CAS number of [[5-(4-chlorophenyl)sulfanyl-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylideneamino] 4-methylbenzoate is 321553-44-0.
What is the molecular formula of [[5-(4-chlorophenyl)sulfanyl-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylideneamino] 4-methylbenzoate?
The molecular formula of [[5-(4-chlorophenyl)sulfanyl-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylideneamino] 4-methylbenzoate is C20H15ClF3N3O2S.
What is the molecular weight of [[5-(4-chlorophenyl)sulfanyl-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylideneamino] 4-methylbenzoate?
The molecular weight of [[5-(4-chlorophenyl)sulfanyl-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylideneamino] 4-methylbenzoate is 453.05 g/mol.
Where can I buy [[5-(4-chlorophenyl)sulfanyl-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylideneamino] 4-methylbenzoate?
You can request a quote for [[5-(4-chlorophenyl)sulfanyl-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylideneamino] 4-methylbenzoate 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] 4-methylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for [[5-(4-chlorophenyl)sulfanyl-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methylideneamino] 4-methylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.