3-((2-(2-aza-2-methoxy-1-methylvinyl)phenoxy)methyl)-4-bromo-2-methyl-1-phenyl-3-pyrazolin-5-one
TL;DR: 3-((2-(2-aza-2-methoxy-1-methylvinyl)phenoxy)methyl)-4-bromo-2-methyl-1-phenyl-3-pyrazolin-5-one (CAS 1025703-18-7) is a chemical compound with molecular formula C20H20BrN3O3 and molecular weight 429.0688 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-bromo-5-[[2-(N-methoxy-C-methylcarbonimidoyl)phenoxy]methyl]-1-methyl-2-phenylpyrazol-3-one
Also Known As: 3-((2-(2-aza-2-methoxy-1-methylvinyl)phenoxy)methyl)-4-bromo-2-methyl-1-phenyl-3-pyrazolin-5-one, 4-bromo-5-[[2-(N-methoxy-C-methyl-carbonimidoyl)phenoxy]methyl]-1-methyl-2-phenyl-pyrazol-3-one, 4-bromo-5-[[2-(N-methoxy-C-methylcarbonimidoyl)phenoxy]methyl]-1-methyl-2-phenylpyrazol-3-one, 4-bromo-5-[[2-[(Z)-N-methoxy-C-methylcarbonimidoyl]phenoxy]methyl]-1-methyl-2-phenylpyrazol-3-one, C20H20BrN3O3
Technical Specifications
| Molecular Formula | C20H20BrN3O3 |
| Molecular Weight | 429.0688 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 54.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 429.0688 Da |
| Heavy Atoms | 27 |
| Complexity | 601.0 |
| SMILES | CC(=NOC)C1=CC=CC=C1OCC2=C(C(=O)N(N2C)C3=CC=CC=C3)Br |
| InChIKey | QVLCNXIVRCYNHE-UHFFFAOYSA-N |
Chemical Property Profile of 3-((2-(2-aza-2-methoxy-1-methylvinyl)phenoxy)methyl)-4-bromo-2-methyl-1-phenyl-3-pyrazolin-5-one
Property Insights of 3-((2-(2-aza-2-methoxy-1-methylvinyl)phenoxy)methyl)-4-bromo-2-methyl-1-phenyl-3-pyrazolin-5-one
The XLogP value of 4.3 indicates that 3-((2-(2-aza-2-methoxy-1-methylvinyl)phenoxy)methyl)-4-bromo-2-methyl-1-phenyl-3-pyrazolin-5-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.4 Ų, 3-((2-(2-aza-2-methoxy-1-methylvinyl)phenoxy)methyl)-4-bromo-2-methyl-1-phenyl-3-pyrazolin-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-((2-(2-aza-2-methoxy-1-methylvinyl)phenoxy)methyl)-4-bromo-2-methyl-1-phenyl-3-pyrazolin-5-one has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-((2-(2-aza-2-methoxy-1-methylvinyl)phenoxy)methyl)-4-bromo-2-methyl-1-phenyl-3-pyrazolin-5-one?
The CAS number of 3-((2-(2-aza-2-methoxy-1-methylvinyl)phenoxy)methyl)-4-bromo-2-methyl-1-phenyl-3-pyrazolin-5-one is 1025703-18-7.
What is the molecular formula of 3-((2-(2-aza-2-methoxy-1-methylvinyl)phenoxy)methyl)-4-bromo-2-methyl-1-phenyl-3-pyrazolin-5-one?
The molecular formula of 3-((2-(2-aza-2-methoxy-1-methylvinyl)phenoxy)methyl)-4-bromo-2-methyl-1-phenyl-3-pyrazolin-5-one is C20H20BrN3O3.
What is the molecular weight of 3-((2-(2-aza-2-methoxy-1-methylvinyl)phenoxy)methyl)-4-bromo-2-methyl-1-phenyl-3-pyrazolin-5-one?
The molecular weight of 3-((2-(2-aza-2-methoxy-1-methylvinyl)phenoxy)methyl)-4-bromo-2-methyl-1-phenyl-3-pyrazolin-5-one is 429.0688 g/mol.
Where can I buy 3-((2-(2-aza-2-methoxy-1-methylvinyl)phenoxy)methyl)-4-bromo-2-methyl-1-phenyl-3-pyrazolin-5-one?
You can request a quote for 3-((2-(2-aza-2-methoxy-1-methylvinyl)phenoxy)methyl)-4-bromo-2-methyl-1-phenyl-3-pyrazolin-5-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-((2-(2-aza-2-methoxy-1-methylvinyl)phenoxy)methyl)-4-bromo-2-methyl-1-phenyl-3-pyrazolin-5-one?
Yes, CoreyChem provides custom synthesis services for 3-((2-(2-aza-2-methoxy-1-methylvinyl)phenoxy)methyl)-4-bromo-2-methyl-1-phenyl-3-pyrazolin-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.