4-Bromo-2-methyl-3-(2-naphthyloxymethyl)-1-phenyl-3-pyrazolin-5-one
TL;DR: 4-Bromo-2-methyl-3-(2-naphthyloxymethyl)-1-phenyl-3-pyrazolin-5-one (CAS 1022545-28-3) is a chemical compound with molecular formula C21H17BrN2O2 and molecular weight 408.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-1-methyl-5-(naphthalen-2-yloxymethyl)-2-phenylpyrazol-3-one
Also Known As: 4-bromo-2-methyl-3-(2-naphthyloxymethyl)-1-phenyl-3-pyrazolin-5-one, 4-bromo-1-methyl-5-(naphthalen-2-yloxymethyl)-2-phenylpyrazol-3-one, 4-bromo-1-methyl-5-[(naphthalen-2-yloxy)methyl]-2-phenyl-2,3-dihydro-1H-pyrazol-3-one, 4-bromo-1-methyl-5-(2-naphthyloxymethyl)-2-phenyl-pyrazol-3-one, 4-bromo-1-methyl-5-(naphthalen-2-yloxymethyl)-2-phenyl-pyrazol-3-one
| Molecular Formula | C21H17BrN2O2 |
|---|---|
| Molecular Weight | 408.05 g/mol |
| LogP | 4.6707 |
| Topological Polar Surface Area | 36.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 408.04733 |
| Heavy Atoms | 26 |
| Complexity | 1129.9225 |
Chemical Identifiers
| CAS Number | 1022545-28-3 |
|---|---|
| SMILES | CN1C(=C(C(=O)N1C2=CC=CC=C2)Br)COC3=CC4=CC=CC=C4C=C3 |
Product Overview
4-Bromo-2-methyl-3-(2-naphthyloxymethyl)-1-phenyl-3-pyrazolin-5-one (CAS 1022545-28-3), with molecular formula C21H17BrN2O2 and molecular weight 408.05 g/mol. IUPAC: 4-bromo-1-methyl-5-(naphthalen-2-yloxymethyl)-2-phenylpyrazol-3-one.
Chemical Property Profile of 4-Bromo-2-methyl-3-(2-naphthyloxymethyl)-1-phenyl-3-pyrazolin-5-one
Property Insights of 4-Bromo-2-methyl-3-(2-naphthyloxymethyl)-1-phenyl-3-pyrazolin-5-one
The XLogP value of 4.6707 indicates that 4-Bromo-2-methyl-3-(2-naphthyloxymethyl)-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-2-methyl-3-(2-naphthyloxymethyl)-1-phenyl-3-pyrazolin-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromo-2-methyl-3-(2-naphthyloxymethyl)-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-2-methyl-3-(2-naphthyloxymethyl)-1-phenyl-3-pyrazolin-5-one?
The CAS number of 4-Bromo-2-methyl-3-(2-naphthyloxymethyl)-1-phenyl-3-pyrazolin-5-one is 1022545-28-3.
What is the molecular formula of 4-Bromo-2-methyl-3-(2-naphthyloxymethyl)-1-phenyl-3-pyrazolin-5-one?
The molecular formula of 4-Bromo-2-methyl-3-(2-naphthyloxymethyl)-1-phenyl-3-pyrazolin-5-one is C21H17BrN2O2.
What is the molecular weight of 4-Bromo-2-methyl-3-(2-naphthyloxymethyl)-1-phenyl-3-pyrazolin-5-one?
The molecular weight of 4-Bromo-2-methyl-3-(2-naphthyloxymethyl)-1-phenyl-3-pyrazolin-5-one is 408.05 g/mol.
Where can I buy 4-Bromo-2-methyl-3-(2-naphthyloxymethyl)-1-phenyl-3-pyrazolin-5-one?
You can request a quote for 4-Bromo-2-methyl-3-(2-naphthyloxymethyl)-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-naphthyloxymethyl)-1-phenyl-3-pyrazolin-5-one?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-2-methyl-3-(2-naphthyloxymethyl)-1-phenyl-3-pyrazolin-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.