4-Bromo-5-(bromomethyl)-1-methyl-2-phenylpyrazol-3-one
TL;DR: 4-Bromo-5-(bromomethyl)-1-methyl-2-phenylpyrazol-3-one (CAS 5767-66-8) is a chemical compound with molecular formula C11H10Br2N2O and molecular weight 343.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-bromo-5-(bromomethyl)-1-methyl-2-phenylpyrazol-3-one
Also Known As: Not Available, 4-bromo-5-(bromomethyl)-1-methyl-2-phenylpyrazol-3-one, 4-bromo-3-(bromomethyl)-2-methyl-1-phenylpyrazolin-5-one, 4-bromo-3-bromomethylene-2-methyl-1-phenylpyrazolin-5-one, J1.407.877K
| Molecular Formula | C11H10Br2N2O |
|---|---|
| Molecular Weight | 343.92 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 23.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 343.916 |
| Heavy Atoms | 16 |
| Complexity | 324.0 |
Chemical Identifiers
| CAS Number | 5767-66-8 |
|---|---|
| SMILES | CN1C(=C(C(=O)N1C2=CC=CC=C2)Br)CBr |
| InChIKey | LSYYOEDKPVQNSU-UHFFFAOYSA-N |
Product Overview
4-Bromo-5-(bromomethyl)-1-methyl-2-phenylpyrazol-3-one (CAS 5767-66-8), with molecular formula C11H10Br2N2O and molecular weight 343.92 g/mol. IUPAC: 4-bromo-5-(bromomethyl)-1-methyl-2-phenylpyrazol-3-one.
Chemical Property Profile of 4-Bromo-5-(bromomethyl)-1-methyl-2-phenylpyrazol-3-one
Property Insights of 4-Bromo-5-(bromomethyl)-1-methyl-2-phenylpyrazol-3-one
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Bromo-5-(bromomethyl)-1-methyl-2-phenylpyrazol-3-one. With a topological polar surface area (TPSA) of 23.6 Ų, 4-Bromo-5-(bromomethyl)-1-methyl-2-phenylpyrazol-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Bromo-5-(bromomethyl)-1-methyl-2-phenylpyrazol-3-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-5-(bromomethyl)-1-methyl-2-phenylpyrazol-3-one?
The CAS number of 4-Bromo-5-(bromomethyl)-1-methyl-2-phenylpyrazol-3-one is 5767-66-8.
What is the molecular formula of 4-Bromo-5-(bromomethyl)-1-methyl-2-phenylpyrazol-3-one?
The molecular formula of 4-Bromo-5-(bromomethyl)-1-methyl-2-phenylpyrazol-3-one is C11H10Br2N2O.
What is the molecular weight of 4-Bromo-5-(bromomethyl)-1-methyl-2-phenylpyrazol-3-one?
The molecular weight of 4-Bromo-5-(bromomethyl)-1-methyl-2-phenylpyrazol-3-one is 343.92 g/mol.
Where can I buy 4-Bromo-5-(bromomethyl)-1-methyl-2-phenylpyrazol-3-one?
You can request a quote for 4-Bromo-5-(bromomethyl)-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-(bromomethyl)-1-methyl-2-phenylpyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 4-Bromo-5-(bromomethyl)-1-methyl-2-phenylpyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.