![(4E)-2-(1,3-benzothiazol-2-yl)-4-{1-[(4-bromophenyl)amino]propylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one structure](/static/products/371/371944-85-3.png)
(4E)-2-(1,3-benzothiazol-2-yl)-4-{1-[(4-bromophenyl)amino]propylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
TL;DR: (4E)-2-(1,3-benzothiazol-2-yl)-4-{1-[(4-bromophenyl)amino]propylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one (CAS 371944-85-3) is a chemical compound with molecular formula C20H14BrF3N4OS and molecular weight 494.00 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-(4-bromophenyl)-C-ethylcarbonimidoyl]-5-(trifluoromethyl)-1H-pyrazol-3-one
Also Known As: (4E)-2-(1,3-benzothiazol-2-yl)-4-{1-[(4-bromophenyl)amino]propylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one, (4Z)-2-(1,3-benzothiazol-2-yl)-4-[1-(4-bromoanilino)propylidene]-5-(trifluoromethyl)pyrazol-3-one, (E)-2-(benzo[d]thiazol-2-yl)-4-(1-((4-bromophenyl)imino)propyl)-5-(trifluoromethyl)-1H-pyrazol-3(2H)-one, 2-(1,3-benzothiazol-2-yl)-4-[(1E)-N-(4-bromophenyl)propanimidoyl]-5-(trifluoromethyl)-1,2-dihydro-3H-pyrazol-3-one, 2-(1,3-benzothiazol-2-yl)-4-[1-(4-bromoanilino)propylidene]-5-(trifluoromethyl)pyrazol-3-one
| Molecular Formula | C20H14BrF3N4OS |
|---|---|
| Molecular Weight | 494.00 g/mol |
| LogP | 6.0874 |
| Topological Polar Surface Area | 63.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 494.00238 |
| Heavy Atoms | 30 |
| Complexity | 1269.3281 |
Chemical Identifiers
| CAS Number | 371944-85-3 |
|---|---|
| SMILES | CCC(=NC1=CC=C(C=C1)Br)C2=C(NN(C2=O)C3=NC4=CC=CC=C4S3)C(F)(F)F |
Product Overview
(4E)-2-(1,3-benzothiazol-2-yl)-4-{1-[(4-bromophenyl)amino]propylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one (CAS 371944-85-3), with molecular formula C20H14BrF3N4OS and molecular weight 494.00 g/mol. IUPAC: 2-(1,3-benzothiazol-2-yl)-4-[N-(4-bromophenyl)-C-ethylcarbonimidoyl]-5-(trifluoromethyl)-1H-pyrazol-3-one.
Chemical Property Profile of (4E)-2-(1,3-benzothiazol-2-yl)-4-{1-[(4-bromophenyl)amino]propylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Property Insights of (4E)-2-(1,3-benzothiazol-2-yl)-4-{1-[(4-bromophenyl)amino]propylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
The XLogP value of 6.0874 indicates that (4E)-2-(1,3-benzothiazol-2-yl)-4-{1-[(4-bromophenyl)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 (4E)-2-(1,3-benzothiazol-2-yl)-4-{1-[(4-bromophenyl)amino]propylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one. Following Lipinski's Rule of Five, (4E)-2-(1,3-benzothiazol-2-yl)-4-{1-[(4-bromophenyl)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 (4E)-2-(1,3-benzothiazol-2-yl)-4-{1-[(4-bromophenyl)amino]propylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one?
The CAS number of (4E)-2-(1,3-benzothiazol-2-yl)-4-{1-[(4-bromophenyl)amino]propylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one is 371944-85-3.
What is the molecular formula of (4E)-2-(1,3-benzothiazol-2-yl)-4-{1-[(4-bromophenyl)amino]propylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one?
The molecular formula of (4E)-2-(1,3-benzothiazol-2-yl)-4-{1-[(4-bromophenyl)amino]propylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one is C20H14BrF3N4OS.
What is the molecular weight of (4E)-2-(1,3-benzothiazol-2-yl)-4-{1-[(4-bromophenyl)amino]propylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one?
The molecular weight of (4E)-2-(1,3-benzothiazol-2-yl)-4-{1-[(4-bromophenyl)amino]propylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one is 494.00 g/mol.
Where can I buy (4E)-2-(1,3-benzothiazol-2-yl)-4-{1-[(4-bromophenyl)amino]propylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one?
You can request a quote for (4E)-2-(1,3-benzothiazol-2-yl)-4-{1-[(4-bromophenyl)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 (4E)-2-(1,3-benzothiazol-2-yl)-4-{1-[(4-bromophenyl)amino]propylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for (4E)-2-(1,3-benzothiazol-2-yl)-4-{1-[(4-bromophenyl)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.