![(E)-1-(benzo[d]thiazol-2-yl)-4-(1-((3,4-dimethoxyphenethyl)amino)ethylidene)-3-(trifluoromethyl)-1H-pyrazol-5(4H)-one structure](/static/products/371/371952-93-1.png)
(E)-1-(benzo[d]thiazol-2-yl)-4-(1-((3,4-dimethoxyphenethyl)amino)ethylidene)-3-(trifluoromethyl)-1H-pyrazol-5(4H)-one
TL;DR: (E)-1-(benzo[d]thiazol-2-yl)-4-(1-((3,4-dimethoxyphenethyl)amino)ethylidene)-3-(trifluoromethyl)-1H-pyrazol-5(4H)-one (CAS 371952-93-1) is a chemical compound with molecular formula C23H21F3N4O3S and molecular weight 490.13 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-[2-(3,4-dimethoxyphenyl)ethyl]-C-methylcarbonimidoyl]-5-(trifluoromethyl)-1H-pyrazol-3-one
Also Known As: (E)-1-(benzo[d]thiazol-2-yl)-4-(1-((3,4-dimethoxyphenethyl)amino)ethylidene)-3-(trifluoromethyl)-1H-pyrazol-5(4H)-one, 2-(1,3-BENZOTHIAZOL-2-YL)-4-[(3,4-DIMETHOXYPHENETHYL)ETHANIMIDOYL]-5-(TRIFLUOROMETHYL)-1,2-DIHYDRO-3H-PYRAZOL-3-ONE, (4E)-2-(1,3-benzothiazol-2-yl)-4-[1-[2-(3,4-dimethoxyphenyl)ethylamino]ethylidene]-5-(trifluoromethyl)pyrazol-3-one, (4Z)-2-(1,3-benzothiazol-2-yl)-4-(1-{[2-(3,4-dimethoxyphenyl)ethyl]amino}ethylidene)-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one, (4Z)-2-(1,3-benzothiazol-2-yl)-4-[1-[2-(3,4-dimethoxyphenyl)ethylamino]ethylidene]-5-(trifluoromethyl)pyrazol-3-one
| Molecular Formula | C23H21F3N4O3S |
|---|---|
| Molecular Weight | 490.13 g/mol |
| LogP | 4.863 |
| Topological Polar Surface Area | 81.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 490.12863 |
| Heavy Atoms | 34 |
| Complexity | 1386.0923 |
Chemical Identifiers
| CAS Number | 371952-93-1 |
|---|---|
| SMILES | CC(=NCCC1=CC(=C(C=C1)OC)OC)C2=C(NN(C2=O)C3=NC4=CC=CC=C4S3)C(F)(F)F |
Product Overview
(E)-1-(benzo[d]thiazol-2-yl)-4-(1-((3,4-dimethoxyphenethyl)amino)ethylidene)-3-(trifluoromethyl)-1H-pyrazol-5(4H)-one (CAS 371952-93-1), with molecular formula C23H21F3N4O3S and molecular weight 490.13 g/mol. IUPAC: 2-(1,3-benzothiazol-2-yl)-4-[N-[2-(3,4-dimethoxyphenyl)ethyl]-C-methylcarbonimidoyl]-5-(trifluoromethyl)-1H-pyrazol-3-one.
Chemical Property Profile of (E)-1-(benzo[d]thiazol-2-yl)-4-(1-((3,4-dimethoxyphenethyl)amino)ethylidene)-3-(trifluoromethyl)-1H-pyrazol-5(4H)-one
Property Insights of (E)-1-(benzo[d]thiazol-2-yl)-4-(1-((3,4-dimethoxyphenethyl)amino)ethylidene)-3-(trifluoromethyl)-1H-pyrazol-5(4H)-one
The XLogP value of 4.863 indicates that (E)-1-(benzo[d]thiazol-2-yl)-4-(1-((3,4-dimethoxyphenethyl)amino)ethylidene)-3-(trifluoromethyl)-1H-pyrazol-5(4H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.5 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-1-(benzo[d]thiazol-2-yl)-4-(1-((3,4-dimethoxyphenethyl)amino)ethylidene)-3-(trifluoromethyl)-1H-pyrazol-5(4H)-one. Following Lipinski's Rule of Five, (E)-1-(benzo[d]thiazol-2-yl)-4-(1-((3,4-dimethoxyphenethyl)amino)ethylidene)-3-(trifluoromethyl)-1H-pyrazol-5(4H)-one has 1 hydrogen bond donor(s) and 6 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 (E)-1-(benzo[d]thiazol-2-yl)-4-(1-((3,4-dimethoxyphenethyl)amino)ethylidene)-3-(trifluoromethyl)-1H-pyrazol-5(4H)-one?
The CAS number of (E)-1-(benzo[d]thiazol-2-yl)-4-(1-((3,4-dimethoxyphenethyl)amino)ethylidene)-3-(trifluoromethyl)-1H-pyrazol-5(4H)-one is 371952-93-1.
What is the molecular formula of (E)-1-(benzo[d]thiazol-2-yl)-4-(1-((3,4-dimethoxyphenethyl)amino)ethylidene)-3-(trifluoromethyl)-1H-pyrazol-5(4H)-one?
The molecular formula of (E)-1-(benzo[d]thiazol-2-yl)-4-(1-((3,4-dimethoxyphenethyl)amino)ethylidene)-3-(trifluoromethyl)-1H-pyrazol-5(4H)-one is C23H21F3N4O3S.
What is the molecular weight of (E)-1-(benzo[d]thiazol-2-yl)-4-(1-((3,4-dimethoxyphenethyl)amino)ethylidene)-3-(trifluoromethyl)-1H-pyrazol-5(4H)-one?
The molecular weight of (E)-1-(benzo[d]thiazol-2-yl)-4-(1-((3,4-dimethoxyphenethyl)amino)ethylidene)-3-(trifluoromethyl)-1H-pyrazol-5(4H)-one is 490.13 g/mol.
Where can I buy (E)-1-(benzo[d]thiazol-2-yl)-4-(1-((3,4-dimethoxyphenethyl)amino)ethylidene)-3-(trifluoromethyl)-1H-pyrazol-5(4H)-one?
You can request a quote for (E)-1-(benzo[d]thiazol-2-yl)-4-(1-((3,4-dimethoxyphenethyl)amino)ethylidene)-3-(trifluoromethyl)-1H-pyrazol-5(4H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-1-(benzo[d]thiazol-2-yl)-4-(1-((3,4-dimethoxyphenethyl)amino)ethylidene)-3-(trifluoromethyl)-1H-pyrazol-5(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-1-(benzo[d]thiazol-2-yl)-4-(1-((3,4-dimethoxyphenethyl)amino)ethylidene)-3-(trifluoromethyl)-1H-pyrazol-5(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.