![5-[(4-Chlorophenyl)sulfanyl]-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde structure](/static/products/3215/321533-70-4.webp)
5-[(4-Chlorophenyl)sulfanyl]-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde
TL;DR: 5-[(4-Chlorophenyl)sulfanyl]-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde (CAS 321533-70-4) is a chemical compound with molecular formula C12H8ClF3N2OS and molecular weight 320.00 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)pyrazole-4-carbaldehyde
Also Known As: 5-[(4-Chlorophenyl)sulfanyl]-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde, 5-((4-Chlorophenyl)thio)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde, 6-(1H-Pyrazol-1-yl)nicotinic acid methyl ester, 5-(4-chlorophenyl)sulfanyl-1-methyl-3-(trifluoromethyl)pyrazole-4-carbaldehyde, 5-(4-Chlorophenylthio)-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxaldehyde
| Molecular Formula | C12H8ClF3N2OS |
|---|---|
| Molecular Weight | 320.00 g/mol |
| LogP | 4.056 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 319.9998 |
| Heavy Atoms | 20 |
| Complexity | 637.3874 |
Chemical Identifiers
| CAS Number | 321533-70-4 |
|---|---|
| SMILES | CN1C(=C(C(=N1)C(F)(F)F)C=O)SC2=CC=C(C=C2)Cl |
Product Overview
5-[(4-Chlorophenyl)sulfanyl]-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde (CAS 321533-70-4), with molecular formula C12H8ClF3N2OS and molecular weight 320.00 g/mol. IUPAC: 5-(4-chlorophenyl)sulfanyl-1-methyl-3-(trifluoromethyl)pyrazole-4-carbaldehyde.
Chemical Property Profile of 5-[(4-Chlorophenyl)sulfanyl]-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde
Property Insights of 5-[(4-Chlorophenyl)sulfanyl]-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde
The XLogP value of 4.056 indicates that 5-[(4-Chlorophenyl)sulfanyl]-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.89 Ų, 5-[(4-Chlorophenyl)sulfanyl]-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-[(4-Chlorophenyl)sulfanyl]-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde has 0 hydrogen bond donor(s) and 3 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)sulfanyl]-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde?
The CAS number of 5-[(4-Chlorophenyl)sulfanyl]-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde is 321533-70-4.
What is the molecular formula of 5-[(4-Chlorophenyl)sulfanyl]-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde?
The molecular formula of 5-[(4-Chlorophenyl)sulfanyl]-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde is C12H8ClF3N2OS.
What is the molecular weight of 5-[(4-Chlorophenyl)sulfanyl]-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde?
The molecular weight of 5-[(4-Chlorophenyl)sulfanyl]-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde is 320.00 g/mol.
Where can I buy 5-[(4-Chlorophenyl)sulfanyl]-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde?
You can request a quote for 5-[(4-Chlorophenyl)sulfanyl]-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde 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)-1H-pyrazole-4-carbaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 5-[(4-Chlorophenyl)sulfanyl]-1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carbaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.