4-Bromo-2-methyl-3-(naphthyloxymethyl)-1-phenyl-3-pyrazolin-5-one
TL;DR: 4-Bromo-2-methyl-3-(naphthyloxymethyl)-1-phenyl-3-pyrazolin-5-one (CAS 1022739-72-5) is a chemical compound with molecular formula C21H17BrN2O2 and molecular weight 408.04733 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-bromo-1-methyl-5-(naphthalen-1-yloxymethyl)-2-phenylpyrazol-3-one
Also Known As: 4-BROMO-2-METHYL-3-(NAPHTHYLOXYMETHYL)-1-PHENYL-3-PYRAZOLIN-5-ONE, 4-bromo-1-methyl-5-(naphthalen-1-yloxymethyl)-2-phenylpyrazol-3-one, 4-bromo-1-methyl-5-(1-naphthyloxymethyl)-2-phenyl-pyrazol-3-one, 4-bromo-1-methyl-5-(naphthalen-1-yloxymethyl)-2-phenyl-pyrazol-3-one, 4-bromo-1-methyl-5-[(naphthalen-1-yloxy)methyl]-2-phenyl-2,3-dihydro-1H-pyrazol-3-one
Technical Specifications
| Molecular Formula | C21H17BrN2O2 |
| Molecular Weight | 408.04733 g/mol |
| XLogP | 5.2 |
| Topological Polar Surface Area (TPSA) | 32.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 408.04733 Da |
| Heavy Atoms | 26 |
| Complexity | 558.0 |
| SMILES | CN1C(=C(C(=O)N1C2=CC=CC=C2)Br)COC3=CC=CC4=CC=CC=C43 |
| InChIKey | XITOGZLCOSUSCM-UHFFFAOYSA-N |
Chemical Property Profile of 4-Bromo-2-methyl-3-(naphthyloxymethyl)-1-phenyl-3-pyrazolin-5-one
Property Insights of 4-Bromo-2-methyl-3-(naphthyloxymethyl)-1-phenyl-3-pyrazolin-5-one
The XLogP value of 5.2 indicates that 4-Bromo-2-methyl-3-(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 32.8 Ų, 4-Bromo-2-methyl-3-(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-(naphthyloxymethyl)-1-phenyl-3-pyrazolin-5-one has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 4-Bromo-2-methyl-3-(naphthyloxymethyl)-1-phenyl-3-pyrazolin-5-one?
The CAS number of 4-Bromo-2-methyl-3-(naphthyloxymethyl)-1-phenyl-3-pyrazolin-5-one is 1022739-72-5.
What is the molecular formula of 4-Bromo-2-methyl-3-(naphthyloxymethyl)-1-phenyl-3-pyrazolin-5-one?
The molecular formula of 4-Bromo-2-methyl-3-(naphthyloxymethyl)-1-phenyl-3-pyrazolin-5-one is C21H17BrN2O2.
What is the molecular weight of 4-Bromo-2-methyl-3-(naphthyloxymethyl)-1-phenyl-3-pyrazolin-5-one?
The molecular weight of 4-Bromo-2-methyl-3-(naphthyloxymethyl)-1-phenyl-3-pyrazolin-5-one is 408.04733 g/mol.
Where can I buy 4-Bromo-2-methyl-3-(naphthyloxymethyl)-1-phenyl-3-pyrazolin-5-one?
You can request a quote for 4-Bromo-2-methyl-3-(naphthyloxymethyl)-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 4-Bromo-2-methyl-3-(naphthyloxymethyl)-1-phenyl-3-pyrazolin-5-one?
Yes, CoreyChem provides custom synthesis services for 4-Bromo-2-methyl-3-(naphthyloxymethyl)-1-phenyl-3-pyrazolin-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.