![(E)-ethyl 2-(4-((6-bromobenzo[d][1,3]dioxol-5-yl)methylene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)-4-methylthiazole-5-carboxylate structure](/static/products/573/573971-38-7.png)
(E)-ethyl 2-(4-((6-bromobenzo[d][1,3]dioxol-5-yl)methylene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)-4-methylthiazole-5-carboxylate
TL;DR: (E)-ethyl 2-(4-((6-bromobenzo[d][1,3]dioxol-5-yl)methylene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)-4-methylthiazole-5-carboxylate (CAS 573971-38-7) is a chemical compound with molecular formula C19H16BrN3O5S and molecular weight 477.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(4E)-4-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-3-methyl-5-oxopyrazol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Also Known As: (E)-ethyl 2-(4-((6-bromobenzo[d][1,3]dioxol-5-yl)methylene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)-4-methylthiazole-5-carboxylate, ethyl 2-[(4E)-4-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-3-methyl-5-oxopyrazol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate, ETHYL 2-[(4E)-4-[(6-BROMO-2H-1,3-BENZODIOXOL-5-YL)METHYLIDENE]-3-METHYL-5-OXO-4,5-DIHYDRO-1H-PYRAZOL-1-YL]-4-METHYL-1,3-THIAZOLE-5-CARBOXYLATE, ethyl 2-{(4E)-4-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}-4-methyl-1,3-thiazole-5-carboxylate
| Molecular Formula | C19H16BrN3O5S |
|---|---|
| Molecular Weight | 477.00 g/mol |
| LogP | 3.92552 |
| Topological Polar Surface Area | 90.32 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 476.9994 |
| Heavy Atoms | 29 |
| Complexity | 1091.754 |
Chemical Identifiers
| CAS Number | 573971-38-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C(S1)N2C(=O)/C(=C/C3=CC4=C(C=C3Br)OCO4)/C(=N2)C)C |
Product Overview
(E)-ethyl 2-(4-((6-bromobenzo[d][1,3]dioxol-5-yl)methylene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)-4-methylthiazole-5-carboxylate (CAS 573971-38-7), with molecular formula C19H16BrN3O5S and molecular weight 477.00 g/mol. IUPAC: ethyl 2-[(4E)-4-[(6-bromo-1,3-benzodioxol-5-yl)methylidene]-3-methyl-5-oxopyrazol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate.
Chemical Property Profile of (E)-ethyl 2-(4-((6-bromobenzo[d][1,3]dioxol-5-yl)methylene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)-4-methylthiazole-5-carboxylate
Property Insights of (E)-ethyl 2-(4-((6-bromobenzo[d][1,3]dioxol-5-yl)methylene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)-4-methylthiazole-5-carboxylate
The XLogP value of 3.92552 indicates that (E)-ethyl 2-(4-((6-bromobenzo[d][1,3]dioxol-5-yl)methylene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)-4-methylthiazole-5-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.32 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-ethyl 2-(4-((6-bromobenzo[d][1,3]dioxol-5-yl)methylene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)-4-methylthiazole-5-carboxylate. Following Lipinski's Rule of Five, (E)-ethyl 2-(4-((6-bromobenzo[d][1,3]dioxol-5-yl)methylene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)-4-methylthiazole-5-carboxylate has 0 hydrogen bond donor(s) and 8 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 2-(4-((6-bromobenzo[d][1,3]dioxol-5-yl)methylene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)-4-methylthiazole-5-carboxylate?
The CAS number of (E)-ethyl 2-(4-((6-bromobenzo[d][1,3]dioxol-5-yl)methylene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)-4-methylthiazole-5-carboxylate is 573971-38-7.
What is the molecular formula of (E)-ethyl 2-(4-((6-bromobenzo[d][1,3]dioxol-5-yl)methylene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)-4-methylthiazole-5-carboxylate?
The molecular formula of (E)-ethyl 2-(4-((6-bromobenzo[d][1,3]dioxol-5-yl)methylene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)-4-methylthiazole-5-carboxylate is C19H16BrN3O5S.
What is the molecular weight of (E)-ethyl 2-(4-((6-bromobenzo[d][1,3]dioxol-5-yl)methylene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)-4-methylthiazole-5-carboxylate?
The molecular weight of (E)-ethyl 2-(4-((6-bromobenzo[d][1,3]dioxol-5-yl)methylene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)-4-methylthiazole-5-carboxylate is 477.00 g/mol.
Where can I buy (E)-ethyl 2-(4-((6-bromobenzo[d][1,3]dioxol-5-yl)methylene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)-4-methylthiazole-5-carboxylate?
You can request a quote for (E)-ethyl 2-(4-((6-bromobenzo[d][1,3]dioxol-5-yl)methylene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)-4-methylthiazole-5-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 2-(4-((6-bromobenzo[d][1,3]dioxol-5-yl)methylene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)-4-methylthiazole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (E)-ethyl 2-(4-((6-bromobenzo[d][1,3]dioxol-5-yl)methylene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)-4-methylthiazole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.