![(E)-4-((1-(1-(benzo[d]thiazol-2-yl)-5-oxo-3-(trifluoromethyl)-1H-pyrazol-4(5H)-ylidene)ethyl)amino)-N-(4-methylpyrimidin-2-yl)benzenesulfonamide structure](/static/products/3729/372970-48-4.webp)
(E)-4-((1-(1-(benzo[d]thiazol-2-yl)-5-oxo-3-(trifluoromethyl)-1H-pyrazol-4(5H)-ylidene)ethyl)amino)-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
TL;DR: (E)-4-((1-(1-(benzo[d]thiazol-2-yl)-5-oxo-3-(trifluoromethyl)-1H-pyrazol-4(5H)-ylidene)ethyl)amino)-N-(4-methylpyrimidin-2-yl)benzenesulfonamide (CAS 372970-48-4) is a chemical compound with molecular formula C24H18F3N7O3S2 and molecular weight 573.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[1-[2-(1,3-benzothiazol-2-yl)-3-oxo-5-(trifluoromethyl)-1H-pyrazol-4-yl]ethylideneamino]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
Also Known As: (E)-4-((1-(1-(benzo[d]thiazol-2-yl)-5-oxo-3-(trifluoromethyl)-1H-pyrazol-4(5H)-ylidene)ethyl)amino)-N-(4-methylpyrimidin-2-yl)benzenesulfonamide, 4-[[(1E)-1-[1-(1,3-benzothiazol-2-yl)-5-oxo-3-(trifluoromethyl)pyrazol-4-ylidene]ethyl]amino]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide, 4-({(1E)-1-[1-(1,3-benzothiazol-2-yl)-5-oxo-3-(trifluoromethyl)-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}amino)-N-(4-methylpyrimidin-2-yl)benzenesulfonamide, 4-({(1E)-1-[2-(1,3-benzothiazol-2-yl)-3-oxo-5-(trifluoromethyl)-2,3-dihydro-1H-pyrazol-4-yl]ethylidene}amino)-N-(4-methylpyrimidin-2-yl)benzenesulfonamide, 4-[1-[1-(1,3-benzothiazol-2-yl)-5-oxo-3-(trifluoromethyl)pyrazol-4-ylidene]ethylamino]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
| Molecular Formula | C24H18F3N7O3S2 |
|---|---|
| Molecular Weight | 573.09 g/mol |
| LogP | 4.83402 |
| Topological Polar Surface Area | 134.99 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 573.0865 |
| Heavy Atoms | 39 |
| Complexity | 1857.6249 |
Chemical Identifiers
| CAS Number | 372970-48-4 |
|---|---|
| SMILES | CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)N=C(C)C3=C(NN(C3=O)C4=NC5=CC=CC=C5S4)C(F)(F)F |
Product Overview
(E)-4-((1-(1-(benzo[d]thiazol-2-yl)-5-oxo-3-(trifluoromethyl)-1H-pyrazol-4(5H)-ylidene)ethyl)amino)-N-(4-methylpyrimidin-2-yl)benzenesulfonamide (CAS 372970-48-4), with molecular formula C24H18F3N7O3S2 and molecular weight 573.09 g/mol. IUPAC: 4-[1-[2-(1,3-benzothiazol-2-yl)-3-oxo-5-(trifluoromethyl)-1H-pyrazol-4-yl]ethylideneamino]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide.
Chemical Property Profile of (E)-4-((1-(1-(benzo[d]thiazol-2-yl)-5-oxo-3-(trifluoromethyl)-1H-pyrazol-4(5H)-ylidene)ethyl)amino)-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
Property Insights of (E)-4-((1-(1-(benzo[d]thiazol-2-yl)-5-oxo-3-(trifluoromethyl)-1H-pyrazol-4(5H)-ylidene)ethyl)amino)-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
The XLogP value of 4.83402 indicates that (E)-4-((1-(1-(benzo[d]thiazol-2-yl)-5-oxo-3-(trifluoromethyl)-1H-pyrazol-4(5H)-ylidene)ethyl)amino)-N-(4-methylpyrimidin-2-yl)benzenesulfonamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 134.99 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-4-((1-(1-(benzo[d]thiazol-2-yl)-5-oxo-3-(trifluoromethyl)-1H-pyrazol-4(5H)-ylidene)ethyl)amino)-N-(4-methylpyrimidin-2-yl)benzenesulfonamide. Following Lipinski's Rule of Five, (E)-4-((1-(1-(benzo[d]thiazol-2-yl)-5-oxo-3-(trifluoromethyl)-1H-pyrazol-4(5H)-ylidene)ethyl)amino)-N-(4-methylpyrimidin-2-yl)benzenesulfonamide has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-4-((1-(1-(benzo[d]thiazol-2-yl)-5-oxo-3-(trifluoromethyl)-1H-pyrazol-4(5H)-ylidene)ethyl)amino)-N-(4-methylpyrimidin-2-yl)benzenesulfonamide?
The CAS number of (E)-4-((1-(1-(benzo[d]thiazol-2-yl)-5-oxo-3-(trifluoromethyl)-1H-pyrazol-4(5H)-ylidene)ethyl)amino)-N-(4-methylpyrimidin-2-yl)benzenesulfonamide is 372970-48-4.
What is the molecular formula of (E)-4-((1-(1-(benzo[d]thiazol-2-yl)-5-oxo-3-(trifluoromethyl)-1H-pyrazol-4(5H)-ylidene)ethyl)amino)-N-(4-methylpyrimidin-2-yl)benzenesulfonamide?
The molecular formula of (E)-4-((1-(1-(benzo[d]thiazol-2-yl)-5-oxo-3-(trifluoromethyl)-1H-pyrazol-4(5H)-ylidene)ethyl)amino)-N-(4-methylpyrimidin-2-yl)benzenesulfonamide is C24H18F3N7O3S2.
What is the molecular weight of (E)-4-((1-(1-(benzo[d]thiazol-2-yl)-5-oxo-3-(trifluoromethyl)-1H-pyrazol-4(5H)-ylidene)ethyl)amino)-N-(4-methylpyrimidin-2-yl)benzenesulfonamide?
The molecular weight of (E)-4-((1-(1-(benzo[d]thiazol-2-yl)-5-oxo-3-(trifluoromethyl)-1H-pyrazol-4(5H)-ylidene)ethyl)amino)-N-(4-methylpyrimidin-2-yl)benzenesulfonamide is 573.09 g/mol.
Where can I buy (E)-4-((1-(1-(benzo[d]thiazol-2-yl)-5-oxo-3-(trifluoromethyl)-1H-pyrazol-4(5H)-ylidene)ethyl)amino)-N-(4-methylpyrimidin-2-yl)benzenesulfonamide?
You can request a quote for (E)-4-((1-(1-(benzo[d]thiazol-2-yl)-5-oxo-3-(trifluoromethyl)-1H-pyrazol-4(5H)-ylidene)ethyl)amino)-N-(4-methylpyrimidin-2-yl)benzenesulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-4-((1-(1-(benzo[d]thiazol-2-yl)-5-oxo-3-(trifluoromethyl)-1H-pyrazol-4(5H)-ylidene)ethyl)amino)-N-(4-methylpyrimidin-2-yl)benzenesulfonamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-((1-(1-(benzo[d]thiazol-2-yl)-5-oxo-3-(trifluoromethyl)-1H-pyrazol-4(5H)-ylidene)ethyl)amino)-N-(4-methylpyrimidin-2-yl)benzenesulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.