![(E)-ethyl 4-(1-(1-(benzo[d]thiazol-2-yl)-5-oxo-3-(trifluoromethyl)-1H-pyrazol-4(5H)-ylidene)ethyl)piperazine-1-carboxylate structure](/static/products/371/371949-52-9.png)
(E)-ethyl 4-(1-(1-(benzo[d]thiazol-2-yl)-5-oxo-3-(trifluoromethyl)-1H-pyrazol-4(5H)-ylidene)ethyl)piperazine-1-carboxylate
TL;DR: (E)-ethyl 4-(1-(1-(benzo[d]thiazol-2-yl)-5-oxo-3-(trifluoromethyl)-1H-pyrazol-4(5H)-ylidene)ethyl)piperazine-1-carboxylate (CAS 371949-52-9) is a chemical compound with molecular formula C20H20F3N5O3S and molecular weight 467.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(1E)-1-[1-(1,3-benzothiazol-2-yl)-5-oxo-3-(trifluoromethyl)pyrazol-4-ylidene]ethyl]piperazine-1-carboxylate
Also Known As: (E)-ethyl 4-(1-(1-(benzo[d]thiazol-2-yl)-5-oxo-3-(trifluoromethyl)-1H-pyrazol-4(5H)-ylidene)ethyl)piperazine-1-carboxylate, ethyl 4-[(1E)-1-[1-(1,3-benzothiazol-2-yl)-5-oxo-3-(trifluoromethyl)pyrazol-4-ylidene]ethyl]piperazine-1-carboxylate, ethyl 4-{(1E)-1-[1-(1,3-benzothiazol-2-yl)-5-oxo-3-(trifluoromethyl)-1,5-dihydro-4H-pyrazol-4-ylidene]ethyl}piperazine-1-carboxylate, ETHYL 4-{1-[1-(1,3-BENZOTHIAZOL-2-YL)-5-OXO-3-(TRIFLUOROMETHYL)-1,5-DIHYDRO-4H-PYRAZOL-4-YLIDEN]ETHYL}TETRAHYDRO-1(2H)-PYRAZINECARBOXYLATE
| Molecular Formula | C20H20F3N5O3S |
|---|---|
| Molecular Weight | 467.12 g/mol |
| LogP | 3.6093 |
| Topological Polar Surface Area | 78.34 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 467.1239 |
| Heavy Atoms | 32 |
| Complexity | 1086.1234 |
Chemical Identifiers
| CAS Number | 371949-52-9 |
|---|---|
| SMILES | CCOC(=O)N1CCN(CC1)/C(=C/2\C(=NN(C2=O)C3=NC4=CC=CC=C4S3)C(F)(F)F)/C |
Product Overview
(E)-ethyl 4-(1-(1-(benzo[d]thiazol-2-yl)-5-oxo-3-(trifluoromethyl)-1H-pyrazol-4(5H)-ylidene)ethyl)piperazine-1-carboxylate (CAS 371949-52-9), with molecular formula C20H20F3N5O3S and molecular weight 467.12 g/mol. IUPAC: ethyl 4-[(1E)-1-[1-(1,3-benzothiazol-2-yl)-5-oxo-3-(trifluoromethyl)pyrazol-4-ylidene]ethyl]piperazine-1-carboxylate.
Chemical Property Profile of (E)-ethyl 4-(1-(1-(benzo[d]thiazol-2-yl)-5-oxo-3-(trifluoromethyl)-1H-pyrazol-4(5H)-ylidene)ethyl)piperazine-1-carboxylate
Property Insights of (E)-ethyl 4-(1-(1-(benzo[d]thiazol-2-yl)-5-oxo-3-(trifluoromethyl)-1H-pyrazol-4(5H)-ylidene)ethyl)piperazine-1-carboxylate
The XLogP value of 3.6093 indicates that (E)-ethyl 4-(1-(1-(benzo[d]thiazol-2-yl)-5-oxo-3-(trifluoromethyl)-1H-pyrazol-4(5H)-ylidene)ethyl)piperazine-1-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.34 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-ethyl 4-(1-(1-(benzo[d]thiazol-2-yl)-5-oxo-3-(trifluoromethyl)-1H-pyrazol-4(5H)-ylidene)ethyl)piperazine-1-carboxylate. Following Lipinski's Rule of Five, (E)-ethyl 4-(1-(1-(benzo[d]thiazol-2-yl)-5-oxo-3-(trifluoromethyl)-1H-pyrazol-4(5H)-ylidene)ethyl)piperazine-1-carboxylate has 0 hydrogen bond donor(s) and 7 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)-ethyl 4-(1-(1-(benzo[d]thiazol-2-yl)-5-oxo-3-(trifluoromethyl)-1H-pyrazol-4(5H)-ylidene)ethyl)piperazine-1-carboxylate?
The CAS number of (E)-ethyl 4-(1-(1-(benzo[d]thiazol-2-yl)-5-oxo-3-(trifluoromethyl)-1H-pyrazol-4(5H)-ylidene)ethyl)piperazine-1-carboxylate is 371949-52-9.
What is the molecular formula of (E)-ethyl 4-(1-(1-(benzo[d]thiazol-2-yl)-5-oxo-3-(trifluoromethyl)-1H-pyrazol-4(5H)-ylidene)ethyl)piperazine-1-carboxylate?
The molecular formula of (E)-ethyl 4-(1-(1-(benzo[d]thiazol-2-yl)-5-oxo-3-(trifluoromethyl)-1H-pyrazol-4(5H)-ylidene)ethyl)piperazine-1-carboxylate is C20H20F3N5O3S.
What is the molecular weight of (E)-ethyl 4-(1-(1-(benzo[d]thiazol-2-yl)-5-oxo-3-(trifluoromethyl)-1H-pyrazol-4(5H)-ylidene)ethyl)piperazine-1-carboxylate?
The molecular weight of (E)-ethyl 4-(1-(1-(benzo[d]thiazol-2-yl)-5-oxo-3-(trifluoromethyl)-1H-pyrazol-4(5H)-ylidene)ethyl)piperazine-1-carboxylate is 467.12 g/mol.
Where can I buy (E)-ethyl 4-(1-(1-(benzo[d]thiazol-2-yl)-5-oxo-3-(trifluoromethyl)-1H-pyrazol-4(5H)-ylidene)ethyl)piperazine-1-carboxylate?
You can request a quote for (E)-ethyl 4-(1-(1-(benzo[d]thiazol-2-yl)-5-oxo-3-(trifluoromethyl)-1H-pyrazol-4(5H)-ylidene)ethyl)piperazine-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-ethyl 4-(1-(1-(benzo[d]thiazol-2-yl)-5-oxo-3-(trifluoromethyl)-1H-pyrazol-4(5H)-ylidene)ethyl)piperazine-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (E)-ethyl 4-(1-(1-(benzo[d]thiazol-2-yl)-5-oxo-3-(trifluoromethyl)-1H-pyrazol-4(5H)-ylidene)ethyl)piperazine-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.