![4-bromo-5-[[2-(N-ethoxy-C-methylcarbonimidoyl)phenoxy]methyl]-1-methyl-2-phenylpyrazol-3-one structure](/static/products/1020/1020252-71-4.webp)
4-bromo-5-[[2-(N-ethoxy-C-methylcarbonimidoyl)phenoxy]methyl]-1-methyl-2-phenylpyrazol-3-one
TL;DR: 4-bromo-5-[[2-(N-ethoxy-C-methylcarbonimidoyl)phenoxy]methyl]-1-methyl-2-phenylpyrazol-3-one (CAS 1020252-71-4) is a chemical compound with molecular formula C21H22BrN3O3 and molecular weight 443.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-5-[[2-(N-ethoxy-C-methylcarbonimidoyl)phenoxy]methyl]-1-methyl-2-phenylpyrazol-3-one
Also Known As: 4-bromo-5-[[2-(N-ethoxy-C-methylcarbonimidoyl)phenoxy]methyl]-1-methyl-2-phenylpyrazol-3-one, 4-bromo-5-[[2-(N-ethoxy-C-methyl-carbonimidoyl)phenoxy]methyl]-1-methyl-2-phenyl-pyrazol-3-one, 3-((2-(2-AZA-2-ETHOXY-1-METHYLVINYL)PHENOXY)METHYL)-4-BROMO-2-METHYL-1-PHENYL-3-PYRAZOLIN-5-ONE, 4-bromo-5-{[2-(ethoxyethanimidoyl)phenoxy]methyl}-1-methyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one, C21H22BrN3O3
| Molecular Formula | C21H22BrN3O3 |
|---|---|
| Molecular Weight | 443.08 g/mol |
| LogP | 4.278 |
| Topological Polar Surface Area | 57.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 443.08444 |
| Heavy Atoms | 28 |
| Complexity | 1038.7946 |
Chemical Identifiers
| CAS Number | 1020252-71-4 |
|---|---|
| SMILES | CCON=C(C)C1=CC=CC=C1OCC2=C(C(=O)N(N2C)C3=CC=CC=C3)Br |
Product Overview
4-bromo-5-[[2-(N-ethoxy-C-methylcarbonimidoyl)phenoxy]methyl]-1-methyl-2-phenylpyrazol-3-one (CAS 1020252-71-4), with molecular formula C21H22BrN3O3 and molecular weight 443.08 g/mol. IUPAC: 4-bromo-5-[[2-(N-ethoxy-C-methylcarbonimidoyl)phenoxy]methyl]-1-methyl-2-phenylpyrazol-3-one.
Chemical Property Profile of 4-bromo-5-[[2-(N-ethoxy-C-methylcarbonimidoyl)phenoxy]methyl]-1-methyl-2-phenylpyrazol-3-one
Property Insights of 4-bromo-5-[[2-(N-ethoxy-C-methylcarbonimidoyl)phenoxy]methyl]-1-methyl-2-phenylpyrazol-3-one
The XLogP value of 4.278 indicates that 4-bromo-5-[[2-(N-ethoxy-C-methylcarbonimidoyl)phenoxy]methyl]-1-methyl-2-phenylpyrazol-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.75 Ų, 4-bromo-5-[[2-(N-ethoxy-C-methylcarbonimidoyl)phenoxy]methyl]-1-methyl-2-phenylpyrazol-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-bromo-5-[[2-(N-ethoxy-C-methylcarbonimidoyl)phenoxy]methyl]-1-methyl-2-phenylpyrazol-3-one has 0 hydrogen bond donor(s) and 4 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 4-bromo-5-[[2-(N-ethoxy-C-methylcarbonimidoyl)phenoxy]methyl]-1-methyl-2-phenylpyrazol-3-one?
The CAS number of 4-bromo-5-[[2-(N-ethoxy-C-methylcarbonimidoyl)phenoxy]methyl]-1-methyl-2-phenylpyrazol-3-one is 1020252-71-4.
What is the molecular formula of 4-bromo-5-[[2-(N-ethoxy-C-methylcarbonimidoyl)phenoxy]methyl]-1-methyl-2-phenylpyrazol-3-one?
The molecular formula of 4-bromo-5-[[2-(N-ethoxy-C-methylcarbonimidoyl)phenoxy]methyl]-1-methyl-2-phenylpyrazol-3-one is C21H22BrN3O3.
What is the molecular weight of 4-bromo-5-[[2-(N-ethoxy-C-methylcarbonimidoyl)phenoxy]methyl]-1-methyl-2-phenylpyrazol-3-one?
The molecular weight of 4-bromo-5-[[2-(N-ethoxy-C-methylcarbonimidoyl)phenoxy]methyl]-1-methyl-2-phenylpyrazol-3-one is 443.08 g/mol.
Where can I buy 4-bromo-5-[[2-(N-ethoxy-C-methylcarbonimidoyl)phenoxy]methyl]-1-methyl-2-phenylpyrazol-3-one?
You can request a quote for 4-bromo-5-[[2-(N-ethoxy-C-methylcarbonimidoyl)phenoxy]methyl]-1-methyl-2-phenylpyrazol-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-bromo-5-[[2-(N-ethoxy-C-methylcarbonimidoyl)phenoxy]methyl]-1-methyl-2-phenylpyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 4-bromo-5-[[2-(N-ethoxy-C-methylcarbonimidoyl)phenoxy]methyl]-1-methyl-2-phenylpyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.