![2-(1,3-benzothiazol-2-yl)-4-{1-[(2-phenylethyl)amino]propylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one structure](/static/products/4452/445254-31-9.webp)
2-(1,3-benzothiazol-2-yl)-4-{1-[(2-phenylethyl)amino]propylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
TL;DR: 2-(1,3-benzothiazol-2-yl)-4-{1-[(2-phenylethyl)amino]propylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one (CAS 445254-31-9) is a chemical compound with molecular formula C22H19F3N4OS and molecular weight 444.12 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-[C-ethyl-N-(2-phenylethyl)carbonimidoyl]-5-(trifluoromethyl)-1H-pyrazol-3-one
Also Known As: 2-(1,3-benzothiazol-2-yl)-4-{1-[(2-phenylethyl)amino]propylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one, (4E)-2-(1,3-benzothiazol-2-yl)-4-{1-[(2-phenylethyl)amino]propylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one, 2-(1,3-Benzothiazol-2-yl)-4-[C-ethyl-N-(2-phenylethyl)carbonimidoyl]-5-(trifluoromethyl)-1H-pyrazol-3-one, (4E)-2-(1,3-benzothiazol-2-yl)-4-[1-(2-phenylethylamino)propylidene]-5-(trifluoromethyl)pyrazol-3-one, (4Z)-2-(1,3-benzothiazol-2-yl)-4-[1-(phenethylamino)propylidene]-5-(trifluoromethyl)pyrazol-3-one
| Molecular Formula | C22H19F3N4OS |
|---|---|
| Molecular Weight | 444.12 g/mol |
| LogP | 5.2359 |
| Topological Polar Surface Area | 63.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 444.12317 |
| Heavy Atoms | 31 |
| Complexity | 1252.575 |
Chemical Identifiers
| CAS Number | 445254-31-9 |
|---|---|
| SMILES | CCC(=NCCC1=CC=CC=C1)C2=C(NN(C2=O)C3=NC4=CC=CC=C4S3)C(F)(F)F |
Product Overview
2-(1,3-benzothiazol-2-yl)-4-{1-[(2-phenylethyl)amino]propylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one (CAS 445254-31-9), with molecular formula C22H19F3N4OS and molecular weight 444.12 g/mol. IUPAC: 2-(1,3-benzothiazol-2-yl)-4-[C-ethyl-N-(2-phenylethyl)carbonimidoyl]-5-(trifluoromethyl)-1H-pyrazol-3-one.
Chemical Property Profile of 2-(1,3-benzothiazol-2-yl)-4-{1-[(2-phenylethyl)amino]propylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Property Insights of 2-(1,3-benzothiazol-2-yl)-4-{1-[(2-phenylethyl)amino]propylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
The XLogP value of 5.2359 indicates that 2-(1,3-benzothiazol-2-yl)-4-{1-[(2-phenylethyl)amino]propylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.04 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-benzothiazol-2-yl)-4-{1-[(2-phenylethyl)amino]propylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one. Following Lipinski's Rule of Five, 2-(1,3-benzothiazol-2-yl)-4-{1-[(2-phenylethyl)amino]propylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(1,3-benzothiazol-2-yl)-4-{1-[(2-phenylethyl)amino]propylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one?
The CAS number of 2-(1,3-benzothiazol-2-yl)-4-{1-[(2-phenylethyl)amino]propylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one is 445254-31-9.
What is the molecular formula of 2-(1,3-benzothiazol-2-yl)-4-{1-[(2-phenylethyl)amino]propylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one?
The molecular formula of 2-(1,3-benzothiazol-2-yl)-4-{1-[(2-phenylethyl)amino]propylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one is C22H19F3N4OS.
What is the molecular weight of 2-(1,3-benzothiazol-2-yl)-4-{1-[(2-phenylethyl)amino]propylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one?
The molecular weight of 2-(1,3-benzothiazol-2-yl)-4-{1-[(2-phenylethyl)amino]propylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one is 444.12 g/mol.
Where can I buy 2-(1,3-benzothiazol-2-yl)-4-{1-[(2-phenylethyl)amino]propylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one?
You can request a quote for 2-(1,3-benzothiazol-2-yl)-4-{1-[(2-phenylethyl)amino]propylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-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 2-(1,3-benzothiazol-2-yl)-4-{1-[(2-phenylethyl)amino]propylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-benzothiazol-2-yl)-4-{1-[(2-phenylethyl)amino]propylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.