![(E)-2-(benzo[d]thiazol-2-yl)-4-(((4-chlorobenzyl)imino)methyl)-5-(trifluoromethyl)-1H-pyrazol-3(2H)-one structure](/static/products/3545/354543-57-0.webp)
(E)-2-(benzo[d]thiazol-2-yl)-4-(((4-chlorobenzyl)imino)methyl)-5-(trifluoromethyl)-1H-pyrazol-3(2H)-one
TL;DR: (E)-2-(benzo[d]thiazol-2-yl)-4-(((4-chlorobenzyl)imino)methyl)-5-(trifluoromethyl)-1H-pyrazol-3(2H)-one (CAS 354543-57-0) is a chemical compound with molecular formula C19H12ClF3N4OS and molecular weight 436.04 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-[(4-chlorophenyl)methyliminomethyl]-5-(trifluoromethyl)-1H-pyrazol-3-one
Also Known As: (E)-2-(benzo[d]thiazol-2-yl)-4-(((4-chlorobenzyl)imino)methyl)-5-(trifluoromethyl)-1H-pyrazol-3(2H)-one, 1-(1,3-benzothiazol-2-yl)-4-{(E)-[(4-chlorobenzyl)imino]methyl}-3-(trifluoromethyl)-1H-pyrazol-5-ol, 2-(1,3-benzothiazol-2-yl)-4-[(4-chlorophenyl)methyliminomethyl]-5-(trifluoromethyl)-1H-pyrazol-3-one, 2-(1,3-benzothiazol-2-yl)-4-{[(4-chlorobenzyl)imino]methyl}-5-(trifluoromethyl)-1,2-dihydro-3H-pyrazol-3-one, (4E)-2-(1,3-benzothiazol-2-yl)-4-[[(4-chlorophenyl)methylamino]methylidene]-5-(trifluoromethyl)pyrazol-3-one
| Molecular Formula | C19H12ClF3N4OS |
|---|---|
| Molecular Weight | 436.04 g/mol |
| LogP | 5.0666 |
| Topological Polar Surface Area | 63.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 436.03723 |
| Heavy Atoms | 29 |
| Complexity | 1222.1793 |
Chemical Identifiers
| CAS Number | 354543-57-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)N3C(=O)C(=C(N3)C(F)(F)F)C=NCC4=CC=C(C=C4)Cl |
Product Overview
(E)-2-(benzo[d]thiazol-2-yl)-4-(((4-chlorobenzyl)imino)methyl)-5-(trifluoromethyl)-1H-pyrazol-3(2H)-one (CAS 354543-57-0), with molecular formula C19H12ClF3N4OS and molecular weight 436.04 g/mol. IUPAC: 2-(1,3-benzothiazol-2-yl)-4-[(4-chlorophenyl)methyliminomethyl]-5-(trifluoromethyl)-1H-pyrazol-3-one.
Chemical Property Profile of (E)-2-(benzo[d]thiazol-2-yl)-4-(((4-chlorobenzyl)imino)methyl)-5-(trifluoromethyl)-1H-pyrazol-3(2H)-one
Property Insights of (E)-2-(benzo[d]thiazol-2-yl)-4-(((4-chlorobenzyl)imino)methyl)-5-(trifluoromethyl)-1H-pyrazol-3(2H)-one
The XLogP value of 5.0666 indicates that (E)-2-(benzo[d]thiazol-2-yl)-4-(((4-chlorobenzyl)imino)methyl)-5-(trifluoromethyl)-1H-pyrazol-3(2H)-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 (E)-2-(benzo[d]thiazol-2-yl)-4-(((4-chlorobenzyl)imino)methyl)-5-(trifluoromethyl)-1H-pyrazol-3(2H)-one. Following Lipinski's Rule of Five, (E)-2-(benzo[d]thiazol-2-yl)-4-(((4-chlorobenzyl)imino)methyl)-5-(trifluoromethyl)-1H-pyrazol-3(2H)-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 (E)-2-(benzo[d]thiazol-2-yl)-4-(((4-chlorobenzyl)imino)methyl)-5-(trifluoromethyl)-1H-pyrazol-3(2H)-one?
The CAS number of (E)-2-(benzo[d]thiazol-2-yl)-4-(((4-chlorobenzyl)imino)methyl)-5-(trifluoromethyl)-1H-pyrazol-3(2H)-one is 354543-57-0.
What is the molecular formula of (E)-2-(benzo[d]thiazol-2-yl)-4-(((4-chlorobenzyl)imino)methyl)-5-(trifluoromethyl)-1H-pyrazol-3(2H)-one?
The molecular formula of (E)-2-(benzo[d]thiazol-2-yl)-4-(((4-chlorobenzyl)imino)methyl)-5-(trifluoromethyl)-1H-pyrazol-3(2H)-one is C19H12ClF3N4OS.
What is the molecular weight of (E)-2-(benzo[d]thiazol-2-yl)-4-(((4-chlorobenzyl)imino)methyl)-5-(trifluoromethyl)-1H-pyrazol-3(2H)-one?
The molecular weight of (E)-2-(benzo[d]thiazol-2-yl)-4-(((4-chlorobenzyl)imino)methyl)-5-(trifluoromethyl)-1H-pyrazol-3(2H)-one is 436.04 g/mol.
Where can I buy (E)-2-(benzo[d]thiazol-2-yl)-4-(((4-chlorobenzyl)imino)methyl)-5-(trifluoromethyl)-1H-pyrazol-3(2H)-one?
You can request a quote for (E)-2-(benzo[d]thiazol-2-yl)-4-(((4-chlorobenzyl)imino)methyl)-5-(trifluoromethyl)-1H-pyrazol-3(2H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-(benzo[d]thiazol-2-yl)-4-(((4-chlorobenzyl)imino)methyl)-5-(trifluoromethyl)-1H-pyrazol-3(2H)-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-(benzo[d]thiazol-2-yl)-4-(((4-chlorobenzyl)imino)methyl)-5-(trifluoromethyl)-1H-pyrazol-3(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.