4-Bromo-3-((4-chloro-2-methylphenoxy)methyl)-2-methyl-1-phenyl-3-pyrazolin-5-one
TL;DR: 4-Bromo-3-((4-chloro-2-methylphenoxy)methyl)-2-methyl-1-phenyl-3-pyrazolin-5-one (CAS 1020252-11-2) is a chemical compound with molecular formula C18H16BrClN2O2 and molecular weight 406.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-5-[(4-chloro-2-methylphenoxy)methyl]-1-methyl-2-phenylpyrazol-3-one
Also Known As: 4-BROMO-3-((4-CHLORO-2-METHYLPHENOXY)METHYL)-2-METHYL-1-PHENYL-3-PYRAZOLIN-5-ONE, 4-bromo-5-[(4-chloro-2-methylphenoxy)methyl]-1-methyl-2-phenylpyrazol-3-one, 4-bromo-5-[(4-chloro-2-methylphenoxy)methyl]-1-methyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one, 4-bromo-5-[(4-chloro-2-methyl-phenoxy)methyl]-1-methyl-2-phenyl-pyrazol-3-one, 4-bromo-5-[(4-chloro-2-methylphenoxy)methyl]-1-methyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one
| Molecular Formula | C18H16BrClN2O2 |
|---|---|
| Molecular Weight | 406.01 g/mol |
| LogP | 4.47932 |
| Topological Polar Surface Area | 36.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 406.00836 |
| Heavy Atoms | 24 |
| Complexity | 932.18207 |
Chemical Identifiers
| CAS Number | 1020252-11-2 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)Cl)OCC2=C(C(=O)N(N2C)C3=CC=CC=C3)Br |
Product Overview
4-Bromo-3-((4-chloro-2-methylphenoxy)methyl)-2-methyl-1-phenyl-3-pyrazolin-5-one (CAS 1020252-11-2), with molecular formula C18H16BrClN2O2 and molecular weight 406.01 g/mol. IUPAC: 4-bromo-5-[(4-chloro-2-methylphenoxy)methyl]-1-methyl-2-phenylpyrazol-3-one.
Chemical Property Profile of 4-Bromo-3-((4-chloro-2-methylphenoxy)methyl)-2-methyl-1-phenyl-3-pyrazolin-5-one
Property Insights of 4-Bromo-3-((4-chloro-2-methylphenoxy)methyl)-2-methyl-1-phenyl-3-pyrazolin-5-one
The XLogP value of 4.47932 indicates that 4-Bromo-3-((4-chloro-2-methylphenoxy)methyl)-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 36.16 Ų, 4-Bromo-3-((4-chloro-2-methylphenoxy)methyl)-2-methyl-1-phenyl-3-pyrazolin-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromo-3-((4-chloro-2-methylphenoxy)methyl)-2-methyl-1-phenyl-3-pyrazolin-5-one has 0 hydrogen bond donor(s) and 2 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-3-((4-chloro-2-methylphenoxy)methyl)-2-methyl-1-phenyl-3-pyrazolin-5-one?
The CAS number of 4-Bromo-3-((4-chloro-2-methylphenoxy)methyl)-2-methyl-1-phenyl-3-pyrazolin-5-one is 1020252-11-2.
What is the molecular formula of 4-Bromo-3-((4-chloro-2-methylphenoxy)methyl)-2-methyl-1-phenyl-3-pyrazolin-5-one?
The molecular formula of 4-Bromo-3-((4-chloro-2-methylphenoxy)methyl)-2-methyl-1-phenyl-3-pyrazolin-5-one is C18H16BrClN2O2.
What is the molecular weight of 4-Bromo-3-((4-chloro-2-methylphenoxy)methyl)-2-methyl-1-phenyl-3-pyrazolin-5-one?
The molecular weight of 4-Bromo-3-((4-chloro-2-methylphenoxy)methyl)-2-methyl-1-phenyl-3-pyrazolin-5-one is 406.01 g/mol.
Where can I buy 4-Bromo-3-((4-chloro-2-methylphenoxy)methyl)-2-methyl-1-phenyl-3-pyrazolin-5-one?
You can request a quote for 4-Bromo-3-((4-chloro-2-methylphenoxy)methyl)-2-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-3-((4-chloro-2-methylphenoxy)methyl)-2-methyl-1-phenyl-3-pyrazolin-5-one?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-3-((4-chloro-2-methylphenoxy)methyl)-2-methyl-1-phenyl-3-pyrazolin-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.