2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-1-(4-chlorophenyl)-1-ethanone
TL;DR: 2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-1-(4-chlorophenyl)-1-ethanone (CAS 956949-84-1) is a chemical compound with molecular formula C13H12BrClN2O and molecular weight 325.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-(4-chlorophenyl)ethanone
Also Known As: 2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-1-(4-chlorophenyl)-1-ethanone, 2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-1-(4-chlorophenyl)ethan-1-one, 8T-0856, 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-(4-chlorophenyl)ethanone, 2-(4-bromo-3,5-dimethyl-pyrazol-1-yl)-1-(4-chlorophenyl)ethanone
| Molecular Formula | C13H12BrClN2O |
|---|---|
| Molecular Weight | 325.98 g/mol |
| LogP | 3.79874 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 325.98215 |
| Heavy Atoms | 18 |
| Complexity | 589.7839 |
Chemical Identifiers
| CAS Number | 956949-84-1 |
|---|---|
| SMILES | CC1=C(C(=NN1CC(=O)C2=CC=C(C=C2)Cl)C)Br |
Product Overview
2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-1-(4-chlorophenyl)-1-ethanone (CAS 956949-84-1), with molecular formula C13H12BrClN2O and molecular weight 325.98 g/mol. IUPAC: 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-(4-chlorophenyl)ethanone.
Chemical Property Profile of 2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-1-(4-chlorophenyl)-1-ethanone
Property Insights of 2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-1-(4-chlorophenyl)-1-ethanone
The XLogP value of 3.79874 indicates that 2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-1-(4-chlorophenyl)-1-ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.89 Ų, 2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-1-(4-chlorophenyl)-1-ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-1-(4-chlorophenyl)-1-ethanone 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 2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-1-(4-chlorophenyl)-1-ethanone?
The CAS number of 2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-1-(4-chlorophenyl)-1-ethanone is 956949-84-1.
What is the molecular formula of 2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-1-(4-chlorophenyl)-1-ethanone?
The molecular formula of 2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-1-(4-chlorophenyl)-1-ethanone is C13H12BrClN2O.
What is the molecular weight of 2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-1-(4-chlorophenyl)-1-ethanone?
The molecular weight of 2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-1-(4-chlorophenyl)-1-ethanone is 325.98 g/mol.
Where can I buy 2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-1-(4-chlorophenyl)-1-ethanone?
You can request a quote for 2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-1-(4-chlorophenyl)-1-ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-1-(4-chlorophenyl)-1-ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)-1-(4-chlorophenyl)-1-ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.