![(4Z)-2-(1,3-benzothiazol-2-yl)-4-[1-(2-hydroxyethylamino)ethylidene]-5-(trifluoromethyl)pyrazol-3-one structure](/static/products/3547/354767-79-6.webp)
(4Z)-2-(1,3-benzothiazol-2-yl)-4-[1-(2-hydroxyethylamino)ethylidene]-5-(trifluoromethyl)pyrazol-3-one
TL;DR: (4Z)-2-(1,3-benzothiazol-2-yl)-4-[1-(2-hydroxyethylamino)ethylidene]-5-(trifluoromethyl)pyrazol-3-one (CAS 354767-79-6) is a chemical compound with molecular formula C15H13F3N4O2S and molecular weight 370.07 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-[N-(2-hydroxyethyl)-C-methylcarbonimidoyl]-5-(trifluoromethyl)-1H-pyrazol-3-one
Also Known As: (4Z)-2-(1,3-benzothiazol-2-yl)-4-[1-(2-hydroxyethylamino)ethylidene]-5-(trifluoromethyl)pyrazol-3-one, 2-(1,3-BENZOTHIAZOL-2-YL)-4-[(2-HYDROXYETHYL)ETHANIMIDOYL]-5-(TRIFLUOROMETHYL)-1,2-DIHYDRO-3H-PYRAZOL-3-ONE, (4Z)-2-(1,3-benzothiazol-2-yl)-4-{1-[(2-hydroxyethyl)amino]ethylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one, 2-(1,3-benzothiazol-2-yl)-4-[1-(2-hydroxyethylamino)ethylidene]-5-(trifluoromethyl)pyrazol-3-one, 2-(1,3-benzothiazol-2-yl)-4-[N-(2-hydroxyethyl)ethanimidoyl]-5-(trifluoromethyl)-1,2-dihydro-3H-pyrazol-3-one
| Molecular Formula | C15H13F3N4O2S |
|---|---|
| Molecular Weight | 370.07 g/mol |
| LogP | 2.5954 |
| Topological Polar Surface Area | 83.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 370.07114 |
| Heavy Atoms | 25 |
| Complexity | 967.2783 |
Chemical Identifiers
| CAS Number | 354767-79-6 |
|---|---|
| SMILES | CC(=NCCO)C1=C(NN(C1=O)C2=NC3=CC=CC=C3S2)C(F)(F)F |
Product Overview
(4Z)-2-(1,3-benzothiazol-2-yl)-4-[1-(2-hydroxyethylamino)ethylidene]-5-(trifluoromethyl)pyrazol-3-one (CAS 354767-79-6), with molecular formula C15H13F3N4O2S and molecular weight 370.07 g/mol. IUPAC: 2-(1,3-benzothiazol-2-yl)-4-[N-(2-hydroxyethyl)-C-methylcarbonimidoyl]-5-(trifluoromethyl)-1H-pyrazol-3-one.
Chemical Property Profile of (4Z)-2-(1,3-benzothiazol-2-yl)-4-[1-(2-hydroxyethylamino)ethylidene]-5-(trifluoromethyl)pyrazol-3-one
Property Insights of (4Z)-2-(1,3-benzothiazol-2-yl)-4-[1-(2-hydroxyethylamino)ethylidene]-5-(trifluoromethyl)pyrazol-3-one
The XLogP value of 2.5954 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4Z)-2-(1,3-benzothiazol-2-yl)-4-[1-(2-hydroxyethylamino)ethylidene]-5-(trifluoromethyl)pyrazol-3-one. The TPSA of 83.27 Ų falls within the moderate polarity range, balancing permeability and solubility for (4Z)-2-(1,3-benzothiazol-2-yl)-4-[1-(2-hydroxyethylamino)ethylidene]-5-(trifluoromethyl)pyrazol-3-one. Following Lipinski's Rule of Five, (4Z)-2-(1,3-benzothiazol-2-yl)-4-[1-(2-hydroxyethylamino)ethylidene]-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 (4Z)-2-(1,3-benzothiazol-2-yl)-4-[1-(2-hydroxyethylamino)ethylidene]-5-(trifluoromethyl)pyrazol-3-one?
The CAS number of (4Z)-2-(1,3-benzothiazol-2-yl)-4-[1-(2-hydroxyethylamino)ethylidene]-5-(trifluoromethyl)pyrazol-3-one is 354767-79-6.
What is the molecular formula of (4Z)-2-(1,3-benzothiazol-2-yl)-4-[1-(2-hydroxyethylamino)ethylidene]-5-(trifluoromethyl)pyrazol-3-one?
The molecular formula of (4Z)-2-(1,3-benzothiazol-2-yl)-4-[1-(2-hydroxyethylamino)ethylidene]-5-(trifluoromethyl)pyrazol-3-one is C15H13F3N4O2S.
What is the molecular weight of (4Z)-2-(1,3-benzothiazol-2-yl)-4-[1-(2-hydroxyethylamino)ethylidene]-5-(trifluoromethyl)pyrazol-3-one?
The molecular weight of (4Z)-2-(1,3-benzothiazol-2-yl)-4-[1-(2-hydroxyethylamino)ethylidene]-5-(trifluoromethyl)pyrazol-3-one is 370.07 g/mol.
Where can I buy (4Z)-2-(1,3-benzothiazol-2-yl)-4-[1-(2-hydroxyethylamino)ethylidene]-5-(trifluoromethyl)pyrazol-3-one?
You can request a quote for (4Z)-2-(1,3-benzothiazol-2-yl)-4-[1-(2-hydroxyethylamino)ethylidene]-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 (4Z)-2-(1,3-benzothiazol-2-yl)-4-[1-(2-hydroxyethylamino)ethylidene]-5-(trifluoromethyl)pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for (4Z)-2-(1,3-benzothiazol-2-yl)-4-[1-(2-hydroxyethylamino)ethylidene]-5-(trifluoromethyl)pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.