![1-{5-[(4-chlorophenyl)sulfanyl]-4-phenyl-1,3-thiazol-2-yl}-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid structure](/static/products/957/957041-18-8.png)
1-{5-[(4-chlorophenyl)sulfanyl]-4-phenyl-1,3-thiazol-2-yl}-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
TL;DR: 1-{5-[(4-chlorophenyl)sulfanyl]-4-phenyl-1,3-thiazol-2-yl}-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid (CAS 957041-18-8) is a chemical compound with molecular formula C20H11ClF3N3O2S2 and molecular weight 480.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[5-(4-chlorophenyl)sulfanyl-4-phenyl-1,3-thiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid
Also Known As: 1-{5-[(4-chlorophenyl)sulfanyl]-4-phenyl-1,3-thiazol-2-yl}-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid, 1T-0055, 1-[5-(4-chlorophenyl)sulfanyl-4-phenyl-1,3-thiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid, 1-{5-[(4-chlorophenyl)sulfanyl]-4-phenyl-1,3-thiazol-2-yl}-5-(trifluoromethyl)-1H-pyrazole-4-carboxylicacid, 1-{5-[(4-chlorophenyl)sulfanyl]-4-phenyl-1,3-thiazol-2-yl}-5-(trifluoromethyl)pyrazole-4-carboxylic acid
| Molecular Formula | C20H11ClF3N3O2S2 |
|---|---|
| Molecular Weight | 480.99 g/mol |
| LogP | 6.5174 |
| Topological Polar Surface Area | 68.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 480.99332 |
| Heavy Atoms | 31 |
| Complexity | 1239.0461 |
Chemical Identifiers
| CAS Number | 957041-18-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=C(SC(=N2)N3C(=C(C=N3)C(=O)O)C(F)(F)F)SC4=CC=C(C=C4)Cl |
Product Overview
1-{5-[(4-chlorophenyl)sulfanyl]-4-phenyl-1,3-thiazol-2-yl}-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid (CAS 957041-18-8), with molecular formula C20H11ClF3N3O2S2 and molecular weight 480.99 g/mol. IUPAC: 1-[5-(4-chlorophenyl)sulfanyl-4-phenyl-1,3-thiazol-2-yl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid.
Chemical Property Profile of 1-{5-[(4-chlorophenyl)sulfanyl]-4-phenyl-1,3-thiazol-2-yl}-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
Property Insights of 1-{5-[(4-chlorophenyl)sulfanyl]-4-phenyl-1,3-thiazol-2-yl}-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid
The XLogP value of 6.5174 indicates that 1-{5-[(4-chlorophenyl)sulfanyl]-4-phenyl-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-phenyl-1,3-thiazol-2-yl}-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid. Following Lipinski's Rule of Five, 1-{5-[(4-chlorophenyl)sulfanyl]-4-phenyl-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-phenyl-1,3-thiazol-2-yl}-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid?
The CAS number of 1-{5-[(4-chlorophenyl)sulfanyl]-4-phenyl-1,3-thiazol-2-yl}-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid is 957041-18-8.
What is the molecular formula of 1-{5-[(4-chlorophenyl)sulfanyl]-4-phenyl-1,3-thiazol-2-yl}-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid?
The molecular formula of 1-{5-[(4-chlorophenyl)sulfanyl]-4-phenyl-1,3-thiazol-2-yl}-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid is C20H11ClF3N3O2S2.
What is the molecular weight of 1-{5-[(4-chlorophenyl)sulfanyl]-4-phenyl-1,3-thiazol-2-yl}-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid?
The molecular weight of 1-{5-[(4-chlorophenyl)sulfanyl]-4-phenyl-1,3-thiazol-2-yl}-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid is 480.99 g/mol.
Where can I buy 1-{5-[(4-chlorophenyl)sulfanyl]-4-phenyl-1,3-thiazol-2-yl}-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid?
You can request a quote for 1-{5-[(4-chlorophenyl)sulfanyl]-4-phenyl-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-phenyl-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-phenyl-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.