![4-chlorobenzenecarbaldehyde O-{[5-[(4-bromophenyl)sulfanyl]-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl}oxime structure](/static/products/4777/477712-44-0.webp)
4-chlorobenzenecarbaldehyde O-{[5-[(4-bromophenyl)sulfanyl]-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl}oxime
TL;DR: 4-chlorobenzenecarbaldehyde O-{[5-[(4-bromophenyl)sulfanyl]-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl}oxime (CAS 477712-44-0) is a chemical compound with molecular formula C19H14BrClF3N3OS and molecular weight 502.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[5-(4-bromophenyl)sulfanyl-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methoxy]-1-(4-chlorophenyl)methanimine
Also Known As: 4-chlorobenzenecarbaldehyde O-{[5-[(4-bromophenyl)sulfanyl]-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl}oxime, N-[[5-(4-bromophenyl)sulfanyl-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methoxy]-1-(4-chlorophenyl)methanimine
| Molecular Formula | C19H14BrClF3N3OS |
|---|---|
| Molecular Weight | 502.97 g/mol |
| LogP | 6.5567 |
| Topological Polar Surface Area | 39.41 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 502.96817 |
| Heavy Atoms | 29 |
| Complexity | 1005.2791 |
Chemical Identifiers
| CAS Number | 477712-44-0 |
|---|---|
| SMILES | CN1C(=C(C(=N1)C(F)(F)F)CON=CC2=CC=C(C=C2)Cl)SC3=CC=C(C=C3)Br |
Product Overview
4-chlorobenzenecarbaldehyde O-{[5-[(4-bromophenyl)sulfanyl]-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl}oxime (CAS 477712-44-0), with molecular formula C19H14BrClF3N3OS and molecular weight 502.97 g/mol. IUPAC: N-[[5-(4-bromophenyl)sulfanyl-1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methoxy]-1-(4-chlorophenyl)methanimine.
Chemical Property Profile of 4-chlorobenzenecarbaldehyde O-{[5-[(4-bromophenyl)sulfanyl]-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl}oxime
Property Insights of 4-chlorobenzenecarbaldehyde O-{[5-[(4-bromophenyl)sulfanyl]-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl}oxime
The XLogP value of 6.5567 indicates that 4-chlorobenzenecarbaldehyde O-{[5-[(4-bromophenyl)sulfanyl]-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl}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, 4-chlorobenzenecarbaldehyde O-{[5-[(4-bromophenyl)sulfanyl]-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl}oxime exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-chlorobenzenecarbaldehyde O-{[5-[(4-bromophenyl)sulfanyl]-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl}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 4-chlorobenzenecarbaldehyde O-{[5-[(4-bromophenyl)sulfanyl]-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl}oxime?
The CAS number of 4-chlorobenzenecarbaldehyde O-{[5-[(4-bromophenyl)sulfanyl]-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl}oxime is 477712-44-0.
What is the molecular formula of 4-chlorobenzenecarbaldehyde O-{[5-[(4-bromophenyl)sulfanyl]-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl}oxime?
The molecular formula of 4-chlorobenzenecarbaldehyde O-{[5-[(4-bromophenyl)sulfanyl]-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl}oxime is C19H14BrClF3N3OS.
What is the molecular weight of 4-chlorobenzenecarbaldehyde O-{[5-[(4-bromophenyl)sulfanyl]-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl}oxime?
The molecular weight of 4-chlorobenzenecarbaldehyde O-{[5-[(4-bromophenyl)sulfanyl]-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl}oxime is 502.97 g/mol.
Where can I buy 4-chlorobenzenecarbaldehyde O-{[5-[(4-bromophenyl)sulfanyl]-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl}oxime?
You can request a quote for 4-chlorobenzenecarbaldehyde O-{[5-[(4-bromophenyl)sulfanyl]-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl}oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-chlorobenzenecarbaldehyde O-{[5-[(4-bromophenyl)sulfanyl]-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl}oxime?
Yes, KEHONG BIO provides custom synthesis services for 4-chlorobenzenecarbaldehyde O-{[5-[(4-bromophenyl)sulfanyl]-1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methyl}oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.