4-Bromo-5-(diethoxyphosphorylmethyl)-1-methyl-2-phenylpyrazol-3-one
TL;DR: 4-Bromo-5-(diethoxyphosphorylmethyl)-1-methyl-2-phenylpyrazol-3-one (CAS 54813-89-7) is a chemical compound with molecular formula C15H20BrN2O4P and molecular weight 402.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-5-(diethoxyphosphorylmethyl)-1-methyl-2-phenylpyrazol-3-one
Also Known As: 4-bromo-5-(diethoxyphosphorylmethyl)-1-methyl-2-phenylpyrazol-3-one, diethyl [(4-bromo-2-methyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrazol-3-yl)methyl]phosphonate, 4-bromo-5-(diethoxyphosphorylmethyl)-1-methyl-2-phenyl-pyrazol-3-one, diethyl (4-bromo-2-methyl-5-oxo-1-phenyl-2,5-dihydro-1H-pyrazol-3-yl)methylphosphonate, 3-((Diethylphosphonate)methyl)-4-bromo-2-methyl-1-phenyl-3-pyrazolin-5-one
| Molecular Formula | C15H20BrN2O4P |
|---|---|
| Molecular Weight | 402.03 g/mol |
| LogP | 3.7046 |
| Topological Polar Surface Area | 62.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 402.03442 |
| Heavy Atoms | 23 |
| Complexity | 759.77435 |
Chemical Identifiers
| CAS Number | 54813-89-7 |
|---|---|
| SMILES | CCOP(=O)(CC1=C(C(=O)N(N1C)C2=CC=CC=C2)Br)OCC |
Product Overview
4-Bromo-5-(diethoxyphosphorylmethyl)-1-methyl-2-phenylpyrazol-3-one (CAS 54813-89-7), with molecular formula C15H20BrN2O4P and molecular weight 402.03 g/mol. IUPAC: 4-bromo-5-(diethoxyphosphorylmethyl)-1-methyl-2-phenylpyrazol-3-one.
Chemical Property Profile of 4-Bromo-5-(diethoxyphosphorylmethyl)-1-methyl-2-phenylpyrazol-3-one
Property Insights of 4-Bromo-5-(diethoxyphosphorylmethyl)-1-methyl-2-phenylpyrazol-3-one
The XLogP value of 3.7046 indicates that 4-Bromo-5-(diethoxyphosphorylmethyl)-1-methyl-2-phenylpyrazol-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.46 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Bromo-5-(diethoxyphosphorylmethyl)-1-methyl-2-phenylpyrazol-3-one. Following Lipinski's Rule of Five, 4-Bromo-5-(diethoxyphosphorylmethyl)-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-(diethoxyphosphorylmethyl)-1-methyl-2-phenylpyrazol-3-one?
The CAS number of 4-Bromo-5-(diethoxyphosphorylmethyl)-1-methyl-2-phenylpyrazol-3-one is 54813-89-7.
What is the molecular formula of 4-Bromo-5-(diethoxyphosphorylmethyl)-1-methyl-2-phenylpyrazol-3-one?
The molecular formula of 4-Bromo-5-(diethoxyphosphorylmethyl)-1-methyl-2-phenylpyrazol-3-one is C15H20BrN2O4P.
What is the molecular weight of 4-Bromo-5-(diethoxyphosphorylmethyl)-1-methyl-2-phenylpyrazol-3-one?
The molecular weight of 4-Bromo-5-(diethoxyphosphorylmethyl)-1-methyl-2-phenylpyrazol-3-one is 402.03 g/mol.
Where can I buy 4-Bromo-5-(diethoxyphosphorylmethyl)-1-methyl-2-phenylpyrazol-3-one?
You can request a quote for 4-Bromo-5-(diethoxyphosphorylmethyl)-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-(diethoxyphosphorylmethyl)-1-methyl-2-phenylpyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-5-(diethoxyphosphorylmethyl)-1-methyl-2-phenylpyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.