![1-[5-[(4-chlorophenyl)sulfanyl]-4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid structure](/static/products/956/956729-65-0.png)
1-[5-[(4-chlorophenyl)sulfanyl]-4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
TL;DR: 1-[5-[(4-chlorophenyl)sulfanyl]-4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid (CAS 956729-65-0) is a chemical compound with molecular formula C20H9Cl3F3N3O2S2 and molecular weight 548.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[5-(4-chlorophenyl)sulfanyl-4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
Also Known As: 1-[5-[(4-chlorophenyl)sulfanyl]-4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid, 4T-0004, 1-[5-(4-chlorophenyl)sulfanyl-4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid, 1-{5-[(4-chlorophenyl)sulfanyl]-4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl}-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid, 1-{5-[(4-chlorophenyl)sulfanyl]-4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl}-5-(trifluoromethyl)-1H-pyrazole-4-carboxylicacid
| Molecular Formula | C20H9Cl3F3N3O2S2 |
|---|---|
| Molecular Weight | 548.92 g/mol |
| LogP | 7.8242 |
| Topological Polar Surface Area | 68.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 548.9154 |
| Heavy Atoms | 33 |
| Complexity | 1355.0818 |
Chemical Identifiers
| CAS Number | 956729-65-0 |
|---|---|
| SMILES | C1=CC(=CC=C1SC2=C(N=C(S2)N3C(=C(C=N3)C(=O)O)C(F)(F)F)C4=C(C=C(C=C4)Cl)Cl)Cl |
Product Overview
1-[5-[(4-chlorophenyl)sulfanyl]-4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid (CAS 956729-65-0), with molecular formula C20H9Cl3F3N3O2S2 and molecular weight 548.92 g/mol. IUPAC: 1-[5-(4-chlorophenyl)sulfanyl-4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid.
Chemical Property Profile of 1-[5-[(4-chlorophenyl)sulfanyl]-4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
Property Insights of 1-[5-[(4-chlorophenyl)sulfanyl]-4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
The XLogP value of 7.8242 indicates that 1-[5-[(4-chlorophenyl)sulfanyl]-4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.01 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[5-[(4-chlorophenyl)sulfanyl]-4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid. Following Lipinski's Rule of Five, 1-[5-[(4-chlorophenyl)sulfanyl]-4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid has 1 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 1-[5-[(4-chlorophenyl)sulfanyl]-4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid?
The CAS number of 1-[5-[(4-chlorophenyl)sulfanyl]-4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid is 956729-65-0.
What is the molecular formula of 1-[5-[(4-chlorophenyl)sulfanyl]-4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid?
The molecular formula of 1-[5-[(4-chlorophenyl)sulfanyl]-4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid is C20H9Cl3F3N3O2S2.
What is the molecular weight of 1-[5-[(4-chlorophenyl)sulfanyl]-4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid?
The molecular weight of 1-[5-[(4-chlorophenyl)sulfanyl]-4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid is 548.92 g/mol.
Where can I buy 1-[5-[(4-chlorophenyl)sulfanyl]-4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid?
You can request a quote for 1-[5-[(4-chlorophenyl)sulfanyl]-4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[5-[(4-chlorophenyl)sulfanyl]-4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-[5-[(4-chlorophenyl)sulfanyl]-4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.