![(4E)-2-(1,3-benzothiazol-2-yl)-4-[1-[3-(dimethylamino)propylamino]ethylidene]-5-(trifluoromethyl)pyrazol-3-one structure](/static/products/3534/353475-24-8.webp)
(4E)-2-(1,3-benzothiazol-2-yl)-4-[1-[3-(dimethylamino)propylamino]ethylidene]-5-(trifluoromethyl)pyrazol-3-one
TL;DR: (4E)-2-(1,3-benzothiazol-2-yl)-4-[1-[3-(dimethylamino)propylamino]ethylidene]-5-(trifluoromethyl)pyrazol-3-one (CAS 353475-24-8) is a chemical compound with molecular formula C18H20F3N5OS and molecular weight 411.13 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-[3-(dimethylamino)propyl]-C-methylcarbonimidoyl]-5-(trifluoromethyl)-1H-pyrazol-3-one
Also Known As: (4E)-2-(1,3-benzothiazol-2-yl)-4-[1-[3-(dimethylamino)propylamino]ethylidene]-5-(trifluoromethyl)pyrazol-3-one, 2-(1,3-benzothiazol-2-yl)-4-(1-{[3-(dimethylamino)propyl]amino}ethylidene)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one, 2-(1,3-Benzothiazol-2-yl)-4-[N-[3-(dimethylamino)propyl]-C-methylcarbonimidoyl]-5-(trifluoromethyl)-1H-pyrazol-3-one, (4E)-2-(1,3-benzothiazol-2-yl)-4-(1-{[3-(dimethylamino)propyl]amino}ethylidene)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one, (E)-1-(benzo[d]thiazol-2-yl)-4-(1-((3-(dimethylamino)propyl)amino)ethylidene)-3-(trifluoromethyl)-1H-pyrazol-5(4H)-one
| Molecular Formula | C18H20F3N5OS |
|---|---|
| Molecular Weight | 411.13 g/mol |
| LogP | 3.5548 |
| Topological Polar Surface Area | 66.28 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 411.13406 |
| Heavy Atoms | 28 |
| Complexity | 1028.281 |
Chemical Identifiers
| CAS Number | 353475-24-8 |
|---|---|
| SMILES | CC(=NCCCN(C)C)C1=C(NN(C1=O)C2=NC3=CC=CC=C3S2)C(F)(F)F |
Product Overview
(4E)-2-(1,3-benzothiazol-2-yl)-4-[1-[3-(dimethylamino)propylamino]ethylidene]-5-(trifluoromethyl)pyrazol-3-one (CAS 353475-24-8), with molecular formula C18H20F3N5OS and molecular weight 411.13 g/mol. IUPAC: 2-(1,3-benzothiazol-2-yl)-4-[N-[3-(dimethylamino)propyl]-C-methylcarbonimidoyl]-5-(trifluoromethyl)-1H-pyrazol-3-one.
Chemical Property Profile of (4E)-2-(1,3-benzothiazol-2-yl)-4-[1-[3-(dimethylamino)propylamino]ethylidene]-5-(trifluoromethyl)pyrazol-3-one
Property Insights of (4E)-2-(1,3-benzothiazol-2-yl)-4-[1-[3-(dimethylamino)propylamino]ethylidene]-5-(trifluoromethyl)pyrazol-3-one
The XLogP value of 3.5548 indicates that (4E)-2-(1,3-benzothiazol-2-yl)-4-[1-[3-(dimethylamino)propylamino]ethylidene]-5-(trifluoromethyl)pyrazol-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.28 Ų falls within the moderate polarity range, balancing permeability and solubility for (4E)-2-(1,3-benzothiazol-2-yl)-4-[1-[3-(dimethylamino)propylamino]ethylidene]-5-(trifluoromethyl)pyrazol-3-one. Following Lipinski's Rule of Five, (4E)-2-(1,3-benzothiazol-2-yl)-4-[1-[3-(dimethylamino)propylamino]ethylidene]-5-(trifluoromethyl)pyrazol-3-one has 1 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-[1-[3-(dimethylamino)propylamino]ethylidene]-5-(trifluoromethyl)pyrazol-3-one?
The CAS number of (4E)-2-(1,3-benzothiazol-2-yl)-4-[1-[3-(dimethylamino)propylamino]ethylidene]-5-(trifluoromethyl)pyrazol-3-one is 353475-24-8.
What is the molecular formula of (4E)-2-(1,3-benzothiazol-2-yl)-4-[1-[3-(dimethylamino)propylamino]ethylidene]-5-(trifluoromethyl)pyrazol-3-one?
The molecular formula of (4E)-2-(1,3-benzothiazol-2-yl)-4-[1-[3-(dimethylamino)propylamino]ethylidene]-5-(trifluoromethyl)pyrazol-3-one is C18H20F3N5OS.
What is the molecular weight of (4E)-2-(1,3-benzothiazol-2-yl)-4-[1-[3-(dimethylamino)propylamino]ethylidene]-5-(trifluoromethyl)pyrazol-3-one?
The molecular weight of (4E)-2-(1,3-benzothiazol-2-yl)-4-[1-[3-(dimethylamino)propylamino]ethylidene]-5-(trifluoromethyl)pyrazol-3-one is 411.13 g/mol.
Where can I buy (4E)-2-(1,3-benzothiazol-2-yl)-4-[1-[3-(dimethylamino)propylamino]ethylidene]-5-(trifluoromethyl)pyrazol-3-one?
You can request a quote for (4E)-2-(1,3-benzothiazol-2-yl)-4-[1-[3-(dimethylamino)propylamino]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 (4E)-2-(1,3-benzothiazol-2-yl)-4-[1-[3-(dimethylamino)propylamino]ethylidene]-5-(trifluoromethyl)pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for (4E)-2-(1,3-benzothiazol-2-yl)-4-[1-[3-(dimethylamino)propylamino]ethylidene]-5-(trifluoromethyl)pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.