![2-[[4-(2,6-dimethylphenyl)piperazin-1-yl]methyl-hydroxyamino]-5-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-thiazol-4-one structure](/static/products/866/866040-91-7.png)
2-[[4-(2,6-dimethylphenyl)piperazin-1-yl]methyl-hydroxyamino]-5-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-thiazol-4-one
TL;DR: 2-[[4-(2,6-dimethylphenyl)piperazin-1-yl]methyl-hydroxyamino]-5-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-thiazol-4-one (CAS 866040-91-7) is a chemical compound with molecular formula C24H25F3N4O2S and molecular weight 490.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(2,6-dimethylphenyl)piperazin-1-yl]methyl-hydroxyamino]-5-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-thiazol-4-one
Also Known As: 2-[[4-(2,6-dimethylphenyl)piperazin-1-yl]methyl-hydroxyamino]-5-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-thiazol-4-one, 2-[{[4-(2,6-dimethylphenyl)piperazino]methyl}(hydroxy)amino]-5-{(Z)-[2-(trifluoromethyl)phenyl]methylidene}-1,3-thiazol-4-one
| Molecular Formula | C24H25F3N4O2S |
|---|---|
| Molecular Weight | 490.17 g/mol |
| LogP | 4.76344 |
| Topological Polar Surface Area | 59.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 490.16504 |
| Heavy Atoms | 34 |
| Complexity | 1121.0282 |
Chemical Identifiers
| CAS Number | 866040-91-7 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)N2CCN(CC2)CN(C3=NC(=O)C(=CC4=CC=CC=C4C(F)(F)F)S3)O |
Product Overview
2-[[4-(2,6-dimethylphenyl)piperazin-1-yl]methyl-hydroxyamino]-5-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-thiazol-4-one (CAS 866040-91-7), with molecular formula C24H25F3N4O2S and molecular weight 490.17 g/mol. IUPAC: 2-[[4-(2,6-dimethylphenyl)piperazin-1-yl]methyl-hydroxyamino]-5-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-thiazol-4-one.
Chemical Property Profile of 2-[[4-(2,6-dimethylphenyl)piperazin-1-yl]methyl-hydroxyamino]-5-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-thiazol-4-one
Property Insights of 2-[[4-(2,6-dimethylphenyl)piperazin-1-yl]methyl-hydroxyamino]-5-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-thiazol-4-one
The XLogP value of 4.76344 indicates that 2-[[4-(2,6-dimethylphenyl)piperazin-1-yl]methyl-hydroxyamino]-5-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-thiazol-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.38 Ų, 2-[[4-(2,6-dimethylphenyl)piperazin-1-yl]methyl-hydroxyamino]-5-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-thiazol-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[[4-(2,6-dimethylphenyl)piperazin-1-yl]methyl-hydroxyamino]-5-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-thiazol-4-one has 1 hydrogen bond donor(s) and 6 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 2-[[4-(2,6-dimethylphenyl)piperazin-1-yl]methyl-hydroxyamino]-5-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-thiazol-4-one?
The CAS number of 2-[[4-(2,6-dimethylphenyl)piperazin-1-yl]methyl-hydroxyamino]-5-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-thiazol-4-one is 866040-91-7.
What is the molecular formula of 2-[[4-(2,6-dimethylphenyl)piperazin-1-yl]methyl-hydroxyamino]-5-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-thiazol-4-one?
The molecular formula of 2-[[4-(2,6-dimethylphenyl)piperazin-1-yl]methyl-hydroxyamino]-5-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-thiazol-4-one is C24H25F3N4O2S.
What is the molecular weight of 2-[[4-(2,6-dimethylphenyl)piperazin-1-yl]methyl-hydroxyamino]-5-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-thiazol-4-one?
The molecular weight of 2-[[4-(2,6-dimethylphenyl)piperazin-1-yl]methyl-hydroxyamino]-5-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-thiazol-4-one is 490.17 g/mol.
Where can I buy 2-[[4-(2,6-dimethylphenyl)piperazin-1-yl]methyl-hydroxyamino]-5-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-thiazol-4-one?
You can request a quote for 2-[[4-(2,6-dimethylphenyl)piperazin-1-yl]methyl-hydroxyamino]-5-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-thiazol-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[[4-(2,6-dimethylphenyl)piperazin-1-yl]methyl-hydroxyamino]-5-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-thiazol-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-[[4-(2,6-dimethylphenyl)piperazin-1-yl]methyl-hydroxyamino]-5-[[2-(trifluoromethyl)phenyl]methylidene]-1,3-thiazol-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.