![(E)-methyl 4-((1-(1-(benzo[d]thiazol-2-yl)-5-oxo-3-(trifluoromethyl)-1H-pyrazol-4(5H)-ylidene)ethyl)amino)benzoate structure](/static/products/353/353772-25-5.png)
(E)-methyl 4-((1-(1-(benzo[d]thiazol-2-yl)-5-oxo-3-(trifluoromethyl)-1H-pyrazol-4(5H)-ylidene)ethyl)amino)benzoate
TL;DR: (E)-methyl 4-((1-(1-(benzo[d]thiazol-2-yl)-5-oxo-3-(trifluoromethyl)-1H-pyrazol-4(5H)-ylidene)ethyl)amino)benzoate (CAS 353772-25-5) is a chemical compound with molecular formula C21H15F3N4O3S and molecular weight 460.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[1-[2-(1,3-benzothiazol-2-yl)-3-oxo-5-(trifluoromethyl)-1H-pyrazol-4-yl]ethylideneamino]benzoate
Also Known As: (E)-methyl 4-((1-(1-(benzo[d]thiazol-2-yl)-5-oxo-3-(trifluoromethyl)-1H-pyrazol-4(5H)-ylidene)ethyl)amino)benzoate, methyl 4-({(1E)-1-[1-(1,3-benzothiazol-2-yl)-5-hydroxy-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethylidene}amino)benzoate, methyl 4-({(1E)-1-[1-(1,3-benzothiazol-2-yl)-5-oxo-3-(trifluoromethyl)-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}amino)benzoate, methyl 4-({(1E)-1-[2-(1,3-benzothiazol-2-yl)-3-oxo-5-(trifluoromethyl)-2,3-dihydro-1H-pyrazol-4-yl]ethylidene}amino)benzoate, METHYL 4-({1-[1-(1,3-BENZOTHIAZOL-2-YL)-5-OXO-3-(TRIFLUOROMETHYL)-1,5-DIHYDRO-4H-PYRAZOL-4-YLIDEN]ETHYL}AMINO)BENZOATE
| Molecular Formula | C21H15F3N4O3S |
|---|---|
| Molecular Weight | 460.08 g/mol |
| LogP | 4.7214 |
| Topological Polar Surface Area | 89.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 460.0817 |
| Heavy Atoms | 32 |
| Complexity | 1365.4266 |
Chemical Identifiers
| CAS Number | 353772-25-5 |
|---|---|
| SMILES | CC(=NC1=CC=C(C=C1)C(=O)OC)C2=C(NN(C2=O)C3=NC4=CC=CC=C4S3)C(F)(F)F |
Product Overview
(E)-methyl 4-((1-(1-(benzo[d]thiazol-2-yl)-5-oxo-3-(trifluoromethyl)-1H-pyrazol-4(5H)-ylidene)ethyl)amino)benzoate (CAS 353772-25-5), with molecular formula C21H15F3N4O3S and molecular weight 460.08 g/mol. IUPAC: methyl 4-[1-[2-(1,3-benzothiazol-2-yl)-3-oxo-5-(trifluoromethyl)-1H-pyrazol-4-yl]ethylideneamino]benzoate.
Chemical Property Profile of (E)-methyl 4-((1-(1-(benzo[d]thiazol-2-yl)-5-oxo-3-(trifluoromethyl)-1H-pyrazol-4(5H)-ylidene)ethyl)amino)benzoate
Property Insights of (E)-methyl 4-((1-(1-(benzo[d]thiazol-2-yl)-5-oxo-3-(trifluoromethyl)-1H-pyrazol-4(5H)-ylidene)ethyl)amino)benzoate
The XLogP value of 4.7214 indicates that (E)-methyl 4-((1-(1-(benzo[d]thiazol-2-yl)-5-oxo-3-(trifluoromethyl)-1H-pyrazol-4(5H)-ylidene)ethyl)amino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.34 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-methyl 4-((1-(1-(benzo[d]thiazol-2-yl)-5-oxo-3-(trifluoromethyl)-1H-pyrazol-4(5H)-ylidene)ethyl)amino)benzoate. Following Lipinski's Rule of Five, (E)-methyl 4-((1-(1-(benzo[d]thiazol-2-yl)-5-oxo-3-(trifluoromethyl)-1H-pyrazol-4(5H)-ylidene)ethyl)amino)benzoate 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)-methyl 4-((1-(1-(benzo[d]thiazol-2-yl)-5-oxo-3-(trifluoromethyl)-1H-pyrazol-4(5H)-ylidene)ethyl)amino)benzoate?
The CAS number of (E)-methyl 4-((1-(1-(benzo[d]thiazol-2-yl)-5-oxo-3-(trifluoromethyl)-1H-pyrazol-4(5H)-ylidene)ethyl)amino)benzoate is 353772-25-5.
What is the molecular formula of (E)-methyl 4-((1-(1-(benzo[d]thiazol-2-yl)-5-oxo-3-(trifluoromethyl)-1H-pyrazol-4(5H)-ylidene)ethyl)amino)benzoate?
The molecular formula of (E)-methyl 4-((1-(1-(benzo[d]thiazol-2-yl)-5-oxo-3-(trifluoromethyl)-1H-pyrazol-4(5H)-ylidene)ethyl)amino)benzoate is C21H15F3N4O3S.
What is the molecular weight of (E)-methyl 4-((1-(1-(benzo[d]thiazol-2-yl)-5-oxo-3-(trifluoromethyl)-1H-pyrazol-4(5H)-ylidene)ethyl)amino)benzoate?
The molecular weight of (E)-methyl 4-((1-(1-(benzo[d]thiazol-2-yl)-5-oxo-3-(trifluoromethyl)-1H-pyrazol-4(5H)-ylidene)ethyl)amino)benzoate is 460.08 g/mol.
Where can I buy (E)-methyl 4-((1-(1-(benzo[d]thiazol-2-yl)-5-oxo-3-(trifluoromethyl)-1H-pyrazol-4(5H)-ylidene)ethyl)amino)benzoate?
You can request a quote for (E)-methyl 4-((1-(1-(benzo[d]thiazol-2-yl)-5-oxo-3-(trifluoromethyl)-1H-pyrazol-4(5H)-ylidene)ethyl)amino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-methyl 4-((1-(1-(benzo[d]thiazol-2-yl)-5-oxo-3-(trifluoromethyl)-1H-pyrazol-4(5H)-ylidene)ethyl)amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for (E)-methyl 4-((1-(1-(benzo[d]thiazol-2-yl)-5-oxo-3-(trifluoromethyl)-1H-pyrazol-4(5H)-ylidene)ethyl)amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.