4-Bromo-2-methyl-3-((2-nitrophenoxy)methyl)-1-phenyl-3-pyrazolin-5-one
TL;DR: 4-Bromo-2-methyl-3-((2-nitrophenoxy)methyl)-1-phenyl-3-pyrazolin-5-one (CAS 33697-10-8) is a chemical compound with molecular formula C17H14BrN3O4 and molecular weight 403.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-1-methyl-5-[(2-nitrophenoxy)methyl]-2-phenylpyrazol-3-one
Also Known As: 4-BROMO-2-METHYL-3-((2-NITROPHENOXY)METHYL)-1-PHENYL-3-PYRAZOLIN-5-ONE, J1.418.461I, 4-bromo-1-methyl-5-[(2-nitrophenoxy)methyl]-2-phenylpyrazol-3-one, 4-bromo-1-methyl-5-[(2-nitrophenoxy)methyl]-2-phenyl-pyrazol-3-one, 4-bromo-1-methyl-5-[(2-nitrophenoxy)methyl]-2-phenyl-2,3-dihydro-1H-pyrazol-3-one
| Molecular Formula | C17H14BrN3O4 |
|---|---|
| Molecular Weight | 403.02 g/mol |
| LogP | 3.4257 |
| Topological Polar Surface Area | 79.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 403.01678 |
| Heavy Atoms | 25 |
| Complexity | 979.3032 |
Chemical Identifiers
| CAS Number | 33697-10-8 |
|---|---|
| SMILES | CN1C(=C(C(=O)N1C2=CC=CC=C2)Br)COC3=CC=CC=C3[N+](=O)[O-] |
Product Overview
4-Bromo-2-methyl-3-((2-nitrophenoxy)methyl)-1-phenyl-3-pyrazolin-5-one (CAS 33697-10-8), with molecular formula C17H14BrN3O4 and molecular weight 403.02 g/mol. IUPAC: 4-bromo-1-methyl-5-[(2-nitrophenoxy)methyl]-2-phenylpyrazol-3-one.
Chemical Property Profile of 4-Bromo-2-methyl-3-((2-nitrophenoxy)methyl)-1-phenyl-3-pyrazolin-5-one
Property Insights of 4-Bromo-2-methyl-3-((2-nitrophenoxy)methyl)-1-phenyl-3-pyrazolin-5-one
The XLogP value of 3.4257 indicates that 4-Bromo-2-methyl-3-((2-nitrophenoxy)methyl)-1-phenyl-3-pyrazolin-5-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Bromo-2-methyl-3-((2-nitrophenoxy)methyl)-1-phenyl-3-pyrazolin-5-one. Following Lipinski's Rule of Five, 4-Bromo-2-methyl-3-((2-nitrophenoxy)methyl)-1-phenyl-3-pyrazolin-5-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-2-methyl-3-((2-nitrophenoxy)methyl)-1-phenyl-3-pyrazolin-5-one?
The CAS number of 4-Bromo-2-methyl-3-((2-nitrophenoxy)methyl)-1-phenyl-3-pyrazolin-5-one is 33697-10-8.
What is the molecular formula of 4-Bromo-2-methyl-3-((2-nitrophenoxy)methyl)-1-phenyl-3-pyrazolin-5-one?
The molecular formula of 4-Bromo-2-methyl-3-((2-nitrophenoxy)methyl)-1-phenyl-3-pyrazolin-5-one is C17H14BrN3O4.
What is the molecular weight of 4-Bromo-2-methyl-3-((2-nitrophenoxy)methyl)-1-phenyl-3-pyrazolin-5-one?
The molecular weight of 4-Bromo-2-methyl-3-((2-nitrophenoxy)methyl)-1-phenyl-3-pyrazolin-5-one is 403.02 g/mol.
Where can I buy 4-Bromo-2-methyl-3-((2-nitrophenoxy)methyl)-1-phenyl-3-pyrazolin-5-one?
You can request a quote for 4-Bromo-2-methyl-3-((2-nitrophenoxy)methyl)-1-phenyl-3-pyrazolin-5-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-2-methyl-3-((2-nitrophenoxy)methyl)-1-phenyl-3-pyrazolin-5-one?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-2-methyl-3-((2-nitrophenoxy)methyl)-1-phenyl-3-pyrazolin-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.