![(4E)-2-(1,3-benzothiazol-2-yl)-4-({[4-chloro-2-(phenylcarbonyl)phenyl]amino}methylidene)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one structure](/static/products/371/371941-58-1.png)
(4E)-2-(1,3-benzothiazol-2-yl)-4-({[4-chloro-2-(phenylcarbonyl)phenyl]amino}methylidene)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
TL;DR: (4E)-2-(1,3-benzothiazol-2-yl)-4-({[4-chloro-2-(phenylcarbonyl)phenyl]amino}methylidene)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one (CAS 371941-58-1) is a chemical compound with molecular formula C25H14ClF3N4O2S and molecular weight 526.05 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-benzoyl-4-chlorophenyl)iminomethyl]-5-(trifluoromethyl)-1H-pyrazol-3-one
Also Known As: (4E)-2-(1,3-benzothiazol-2-yl)-4-({[4-chloro-2-(phenylcarbonyl)phenyl]amino}methylidene)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one, (E)-1-(benzo[d]thiazol-2-yl)-4-(((2-benzoyl-4-chlorophenyl)amino)methylene)-3-(trifluoromethyl)-1H-pyrazol-5(4H)-one, (4E)-2-(1,3-benzothiazol-2-yl)-4-[(2-benzoyl-4-chloroanilino)methylidene]-5-(trifluoromethyl)pyrazol-3-one, (4Z)-2-(1,3-benzothiazol-2-yl)-4-[(2-benzoyl-4-chloroanilino)methylidene]-5-(trifluoromethyl)pyrazol-3-one, (E)-2-(benzo[d]thiazol-2-yl)-4-(((2-benzoyl-4-chlorophenyl)imino)methyl)-5-(trifluoromethyl)-1H-pyrazol-3(2H)-one
| Molecular Formula | C25H14ClF3N4O2S |
|---|---|
| Molecular Weight | 526.05 g/mol |
| LogP | 6.4291 |
| Topological Polar Surface Area | 80.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 526.0478 |
| Heavy Atoms | 36 |
| Complexity | 1654.2759 |
Chemical Identifiers
| CAS Number | 371941-58-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Cl)N=CC3=C(NN(C3=O)C4=NC5=CC=CC=C5S4)C(F)(F)F |
Product Overview
(4E)-2-(1,3-benzothiazol-2-yl)-4-({[4-chloro-2-(phenylcarbonyl)phenyl]amino}methylidene)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one (CAS 371941-58-1), with molecular formula C25H14ClF3N4O2S and molecular weight 526.05 g/mol. IUPAC: 2-(1,3-benzothiazol-2-yl)-4-[(2-benzoyl-4-chlorophenyl)iminomethyl]-5-(trifluoromethyl)-1H-pyrazol-3-one.
Chemical Property Profile of (4E)-2-(1,3-benzothiazol-2-yl)-4-({[4-chloro-2-(phenylcarbonyl)phenyl]amino}methylidene)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Property Insights of (4E)-2-(1,3-benzothiazol-2-yl)-4-({[4-chloro-2-(phenylcarbonyl)phenyl]amino}methylidene)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
The XLogP value of 6.4291 indicates that (4E)-2-(1,3-benzothiazol-2-yl)-4-({[4-chloro-2-(phenylcarbonyl)phenyl]amino}methylidene)-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 80.11 Ų falls within the moderate polarity range, balancing permeability and solubility for (4E)-2-(1,3-benzothiazol-2-yl)-4-({[4-chloro-2-(phenylcarbonyl)phenyl]amino}methylidene)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one. Following Lipinski's Rule of Five, (4E)-2-(1,3-benzothiazol-2-yl)-4-({[4-chloro-2-(phenylcarbonyl)phenyl]amino}methylidene)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one has 1 hydrogen bond donor(s) and 5 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-({[4-chloro-2-(phenylcarbonyl)phenyl]amino}methylidene)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one?
The CAS number of (4E)-2-(1,3-benzothiazol-2-yl)-4-({[4-chloro-2-(phenylcarbonyl)phenyl]amino}methylidene)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one is 371941-58-1.
What is the molecular formula of (4E)-2-(1,3-benzothiazol-2-yl)-4-({[4-chloro-2-(phenylcarbonyl)phenyl]amino}methylidene)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one?
The molecular formula of (4E)-2-(1,3-benzothiazol-2-yl)-4-({[4-chloro-2-(phenylcarbonyl)phenyl]amino}methylidene)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one is C25H14ClF3N4O2S.
What is the molecular weight of (4E)-2-(1,3-benzothiazol-2-yl)-4-({[4-chloro-2-(phenylcarbonyl)phenyl]amino}methylidene)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one?
The molecular weight of (4E)-2-(1,3-benzothiazol-2-yl)-4-({[4-chloro-2-(phenylcarbonyl)phenyl]amino}methylidene)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one is 526.05 g/mol.
Where can I buy (4E)-2-(1,3-benzothiazol-2-yl)-4-({[4-chloro-2-(phenylcarbonyl)phenyl]amino}methylidene)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one?
You can request a quote for (4E)-2-(1,3-benzothiazol-2-yl)-4-({[4-chloro-2-(phenylcarbonyl)phenyl]amino}methylidene)-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-({[4-chloro-2-(phenylcarbonyl)phenyl]amino}methylidene)-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-({[4-chloro-2-(phenylcarbonyl)phenyl]amino}methylidene)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.