1-methyl-5-(phenylsulfanyl)-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde O-(2,4-dichlorobenzyl)oxime
TL;DR: 1-methyl-5-(phenylsulfanyl)-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde O-(2,4-dichlorobenzyl)oxime (CAS 321553-28-0) is a chemical compound with molecular formula C19H14Cl2F3N3OS and molecular weight 459.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2,4-dichlorophenyl)methoxy]-1-[1-methyl-5-phenylsulfanyl-3-(trifluoromethyl)pyrazol-4-yl]methanimine
Also Known As: 1-methyl-5-(phenylsulfanyl)-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde O-(2,4-dichlorobenzyl)oxime, N-[(2,4-dichlorophenyl)methoxy]-1-[1-methyl-5-phenylsulfanyl-3-(trifluoromethyl)pyrazol-4-yl]methanimine
| Molecular Formula | C19H14Cl2F3N3OS |
|---|---|
| Molecular Weight | 459.02 g/mol |
| LogP | 6.4476 |
| Topological Polar Surface Area | 39.41 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 459.01868 |
| Heavy Atoms | 29 |
| Complexity | 1023.5291 |
Chemical Identifiers
| CAS Number | 321553-28-0 |
|---|---|
| SMILES | CN1C(=C(C(=N1)C(F)(F)F)C=NOCC2=C(C=C(C=C2)Cl)Cl)SC3=CC=CC=C3 |
Product Overview
1-methyl-5-(phenylsulfanyl)-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde O-(2,4-dichlorobenzyl)oxime (CAS 321553-28-0), with molecular formula C19H14Cl2F3N3OS and molecular weight 459.02 g/mol. IUPAC: N-[(2,4-dichlorophenyl)methoxy]-1-[1-methyl-5-phenylsulfanyl-3-(trifluoromethyl)pyrazol-4-yl]methanimine.
Chemical Property Profile of 1-methyl-5-(phenylsulfanyl)-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde O-(2,4-dichlorobenzyl)oxime
Property Insights of 1-methyl-5-(phenylsulfanyl)-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde O-(2,4-dichlorobenzyl)oxime
The XLogP value of 6.4476 indicates that 1-methyl-5-(phenylsulfanyl)-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde O-(2,4-dichlorobenzyl)oxime is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.41 Ų, 1-methyl-5-(phenylsulfanyl)-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde O-(2,4-dichlorobenzyl)oxime exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-methyl-5-(phenylsulfanyl)-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde O-(2,4-dichlorobenzyl)oxime has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-methyl-5-(phenylsulfanyl)-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde O-(2,4-dichlorobenzyl)oxime?
The CAS number of 1-methyl-5-(phenylsulfanyl)-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde O-(2,4-dichlorobenzyl)oxime is 321553-28-0.
What is the molecular formula of 1-methyl-5-(phenylsulfanyl)-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde O-(2,4-dichlorobenzyl)oxime?
The molecular formula of 1-methyl-5-(phenylsulfanyl)-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde O-(2,4-dichlorobenzyl)oxime is C19H14Cl2F3N3OS.
What is the molecular weight of 1-methyl-5-(phenylsulfanyl)-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde O-(2,4-dichlorobenzyl)oxime?
The molecular weight of 1-methyl-5-(phenylsulfanyl)-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde O-(2,4-dichlorobenzyl)oxime is 459.02 g/mol.
Where can I buy 1-methyl-5-(phenylsulfanyl)-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde O-(2,4-dichlorobenzyl)oxime?
You can request a quote for 1-methyl-5-(phenylsulfanyl)-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde O-(2,4-dichlorobenzyl)oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-methyl-5-(phenylsulfanyl)-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde O-(2,4-dichlorobenzyl)oxime?
Yes, KEHONG BIO provides custom synthesis services for 1-methyl-5-(phenylsulfanyl)-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde O-(2,4-dichlorobenzyl)oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.