![(4E)-2-(1,3-benzothiazol-2-yl)-4-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methylidene]-5-(trifluoromethyl)pyrazol-3-one structure](/static/products/405/405269-19-4.png)
(4E)-2-(1,3-benzothiazol-2-yl)-4-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methylidene]-5-(trifluoromethyl)pyrazol-3-one
TL;DR: (4E)-2-(1,3-benzothiazol-2-yl)-4-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methylidene]-5-(trifluoromethyl)pyrazol-3-one (CAS 405269-19-4) is a chemical compound with molecular formula C21H24F3N5OS and molecular weight 451.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzothiazol-2-yl)-4-[(2,2,6,6-tetramethylpiperidin-4-yl)iminomethyl]-5-(trifluoromethyl)-1H-pyrazol-3-one
Also Known As: (4E)-2-(1,3-benzothiazol-2-yl)-4-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methylidene]-5-(trifluoromethyl)pyrazol-3-one, (4Z)-2-(1,3-benzothiazol-2-yl)-4-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methylidene]-5-(trifluoromethyl)pyrazol-3-one, (4Z)-2-(1,3-benzothiazol-2-yl)-4-{[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one, (E)-2-(benzo[d]thiazol-2-yl)-4-(((2,2,6,6-tetramethylpiperidin-4-yl)imino)methyl)-5-(trifluoromethyl)-1H-pyrazol-3(2H)-one, 2-(1,3-benzothiazol-2-yl)-4-[(E)-[(2,2,6,6-tetramethylpiperidin-4-yl)imino]methyl]-5-(trifluoromethyl)-1H-pyrazol-3-one
| Molecular Formula | C21H24F3N5OS |
|---|---|
| Molecular Weight | 451.17 g/mol |
| LogP | 4.5222 |
| Topological Polar Surface Area | 75.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 451.16537 |
| Heavy Atoms | 31 |
| Complexity | 1152.7777 |
Chemical Identifiers
| CAS Number | 405269-19-4 |
|---|---|
| SMILES | CC1(CC(CC(N1)(C)C)N=CC2=C(NN(C2=O)C3=NC4=CC=CC=C4S3)C(F)(F)F)C |
Product Overview
(4E)-2-(1,3-benzothiazol-2-yl)-4-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methylidene]-5-(trifluoromethyl)pyrazol-3-one (CAS 405269-19-4), with molecular formula C21H24F3N5OS and molecular weight 451.17 g/mol. IUPAC: 2-(1,3-benzothiazol-2-yl)-4-[(2,2,6,6-tetramethylpiperidin-4-yl)iminomethyl]-5-(trifluoromethyl)-1H-pyrazol-3-one.
Chemical Property Profile of (4E)-2-(1,3-benzothiazol-2-yl)-4-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methylidene]-5-(trifluoromethyl)pyrazol-3-one
Property Insights of (4E)-2-(1,3-benzothiazol-2-yl)-4-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methylidene]-5-(trifluoromethyl)pyrazol-3-one
The XLogP value of 4.5222 indicates that (4E)-2-(1,3-benzothiazol-2-yl)-4-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methylidene]-5-(trifluoromethyl)pyrazol-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.07 Ų falls within the moderate polarity range, balancing permeability and solubility for (4E)-2-(1,3-benzothiazol-2-yl)-4-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methylidene]-5-(trifluoromethyl)pyrazol-3-one. Following Lipinski's Rule of Five, (4E)-2-(1,3-benzothiazol-2-yl)-4-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methylidene]-5-(trifluoromethyl)pyrazol-3-one has 2 hydrogen bond donor(s) and 5 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 (4E)-2-(1,3-benzothiazol-2-yl)-4-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methylidene]-5-(trifluoromethyl)pyrazol-3-one?
The CAS number of (4E)-2-(1,3-benzothiazol-2-yl)-4-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methylidene]-5-(trifluoromethyl)pyrazol-3-one is 405269-19-4.
What is the molecular formula of (4E)-2-(1,3-benzothiazol-2-yl)-4-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methylidene]-5-(trifluoromethyl)pyrazol-3-one?
The molecular formula of (4E)-2-(1,3-benzothiazol-2-yl)-4-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methylidene]-5-(trifluoromethyl)pyrazol-3-one is C21H24F3N5OS.
What is the molecular weight of (4E)-2-(1,3-benzothiazol-2-yl)-4-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methylidene]-5-(trifluoromethyl)pyrazol-3-one?
The molecular weight of (4E)-2-(1,3-benzothiazol-2-yl)-4-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methylidene]-5-(trifluoromethyl)pyrazol-3-one is 451.17 g/mol.
Where can I buy (4E)-2-(1,3-benzothiazol-2-yl)-4-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methylidene]-5-(trifluoromethyl)pyrazol-3-one?
You can request a quote for (4E)-2-(1,3-benzothiazol-2-yl)-4-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methylidene]-5-(trifluoromethyl)pyrazol-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4E)-2-(1,3-benzothiazol-2-yl)-4-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methylidene]-5-(trifluoromethyl)pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for (4E)-2-(1,3-benzothiazol-2-yl)-4-[[(2,2,6,6-tetramethylpiperidin-4-yl)amino]methylidene]-5-(trifluoromethyl)pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.