![2-(1,3-benzothiazol-2-yl)-4-{1-[(4-methoxybenzyl)amino]ethylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one structure](/static/products/371/371945-39-0.png)
2-(1,3-benzothiazol-2-yl)-4-{1-[(4-methoxybenzyl)amino]ethylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
TL;DR: 2-(1,3-benzothiazol-2-yl)-4-{1-[(4-methoxybenzyl)amino]ethylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one (CAS 371945-39-0) is a chemical compound with molecular formula C21H17F3N4O2S and molecular weight 446.10 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-methoxyphenyl)methyl]-C-methylcarbonimidoyl]-5-(trifluoromethyl)-1H-pyrazol-3-one
Also Known As: 2-(1,3-benzothiazol-2-yl)-4-{1-[(4-methoxybenzyl)amino]ethylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one, 2-(1,3-benzothiazol-2-yl)-4-[(1E)-N-(4-methoxybenzyl)ethanimidoyl]-5-(trifluoromethyl)-1,2-dihydro-3H-pyrazol-3-one, (4E)-2-(1,3-benzothiazol-2-yl)-4-[1-[(4-methoxyphenyl)methylamino]ethylidene]-5-(trifluoromethyl)pyrazol-3-one, (4Z)-2-(1,3-benzothiazol-2-yl)-4-[1-[(4-methoxyphenyl)methylamino]ethylidene]-5-(trifluoromethyl)pyrazol-3-one, (E)-2-(benzo[d]thiazol-2-yl)-4-(1-((4-methoxybenzyl)imino)ethyl)-5-(trifluoromethyl)-1H-pyrazol-3(2H)-one
| Molecular Formula | C21H17F3N4O2S |
|---|---|
| Molecular Weight | 446.10 g/mol |
| LogP | 4.8119 |
| Topological Polar Surface Area | 72.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 446.10242 |
| Heavy Atoms | 31 |
| Complexity | 1284.1422 |
Chemical Identifiers
| CAS Number | 371945-39-0 |
|---|---|
| SMILES | CC(=NCC1=CC=C(C=C1)OC)C2=C(NN(C2=O)C3=NC4=CC=CC=C4S3)C(F)(F)F |
Product Overview
2-(1,3-benzothiazol-2-yl)-4-{1-[(4-methoxybenzyl)amino]ethylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one (CAS 371945-39-0), with molecular formula C21H17F3N4O2S and molecular weight 446.10 g/mol. IUPAC: 2-(1,3-benzothiazol-2-yl)-4-[N-[(4-methoxyphenyl)methyl]-C-methylcarbonimidoyl]-5-(trifluoromethyl)-1H-pyrazol-3-one.
Chemical Property Profile of 2-(1,3-benzothiazol-2-yl)-4-{1-[(4-methoxybenzyl)amino]ethylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
Property Insights of 2-(1,3-benzothiazol-2-yl)-4-{1-[(4-methoxybenzyl)amino]ethylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
The XLogP value of 4.8119 indicates that 2-(1,3-benzothiazol-2-yl)-4-{1-[(4-methoxybenzyl)amino]ethylidene}-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 72.27 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-benzothiazol-2-yl)-4-{1-[(4-methoxybenzyl)amino]ethylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one. Following Lipinski's Rule of Five, 2-(1,3-benzothiazol-2-yl)-4-{1-[(4-methoxybenzyl)amino]ethylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-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 2-(1,3-benzothiazol-2-yl)-4-{1-[(4-methoxybenzyl)amino]ethylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one?
The CAS number of 2-(1,3-benzothiazol-2-yl)-4-{1-[(4-methoxybenzyl)amino]ethylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one is 371945-39-0.
What is the molecular formula of 2-(1,3-benzothiazol-2-yl)-4-{1-[(4-methoxybenzyl)amino]ethylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one?
The molecular formula of 2-(1,3-benzothiazol-2-yl)-4-{1-[(4-methoxybenzyl)amino]ethylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one is C21H17F3N4O2S.
What is the molecular weight of 2-(1,3-benzothiazol-2-yl)-4-{1-[(4-methoxybenzyl)amino]ethylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one?
The molecular weight of 2-(1,3-benzothiazol-2-yl)-4-{1-[(4-methoxybenzyl)amino]ethylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one is 446.10 g/mol.
Where can I buy 2-(1,3-benzothiazol-2-yl)-4-{1-[(4-methoxybenzyl)amino]ethylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one?
You can request a quote for 2-(1,3-benzothiazol-2-yl)-4-{1-[(4-methoxybenzyl)amino]ethylidene}-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 2-(1,3-benzothiazol-2-yl)-4-{1-[(4-methoxybenzyl)amino]ethylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-benzothiazol-2-yl)-4-{1-[(4-methoxybenzyl)amino]ethylidene}-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.