![1-[(4-bromo-2-methylphenoxy)acetyl]-3,5-dimethyl-1H-pyrazole structure](/static/products/590/590400-01-4.png)
1-[(4-bromo-2-methylphenoxy)acetyl]-3,5-dimethyl-1H-pyrazole
TL;DR: 1-[(4-bromo-2-methylphenoxy)acetyl]-3,5-dimethyl-1H-pyrazole (CAS 590400-01-4) is a chemical compound with molecular formula C14H15BrN2O2 and molecular weight 322.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-bromo-2-methylphenoxy)-1-(3,5-dimethylpyrazol-1-yl)ethanone
Also Known As: 1-[(4-bromo-2-methylphenoxy)acetyl]-3,5-dimethyl-1H-pyrazole, 2-(4-bromo-2-methylphenoxy)-1-(3,5-dimethylpyrazol-1-yl)ethanone, 2-(4-bromo-2-methylphenoxy)-1-(3,5-dimethyl-1H-pyrazol-1-yl)ethanone, 4-bromo-2-methylphenyl 2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl ether, 2-(4-BROMO-2-METHYLPHENOXY)-1-(3,5-DIMETHYL-1H-PYRAZOL-1-YL)ETHAN-1-ONE
| Molecular Formula | C14H15BrN2O2 |
|---|---|
| Molecular Weight | 322.03 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 44.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 322.03168 |
| Heavy Atoms | 19 |
| Complexity | 327.0 |
Chemical Identifiers
| CAS Number | 590400-01-4 |
|---|---|
| SMILES | CC1=CC(=NN1C(=O)COC2=C(C=C(C=C2)Br)C)C |
| InChIKey | PYGZNXMGSSCNBQ-UHFFFAOYSA-N |
Product Overview
1-[(4-bromo-2-methylphenoxy)acetyl]-3,5-dimethyl-1H-pyrazole (CAS 590400-01-4), with molecular formula C14H15BrN2O2 and molecular weight 322.03 g/mol. IUPAC: 2-(4-bromo-2-methylphenoxy)-1-(3,5-dimethylpyrazol-1-yl)ethanone.
Chemical Property Profile of 1-[(4-bromo-2-methylphenoxy)acetyl]-3,5-dimethyl-1H-pyrazole
Property Insights of 1-[(4-bromo-2-methylphenoxy)acetyl]-3,5-dimethyl-1H-pyrazole
The XLogP value of 3.7 indicates that 1-[(4-bromo-2-methylphenoxy)acetyl]-3,5-dimethyl-1H-pyrazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.1 Ų, 1-[(4-bromo-2-methylphenoxy)acetyl]-3,5-dimethyl-1H-pyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[(4-bromo-2-methylphenoxy)acetyl]-3,5-dimethyl-1H-pyrazole has 0 hydrogen bond donor(s) and 3 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 1-[(4-bromo-2-methylphenoxy)acetyl]-3,5-dimethyl-1H-pyrazole?
The CAS number of 1-[(4-bromo-2-methylphenoxy)acetyl]-3,5-dimethyl-1H-pyrazole is 590400-01-4.
What is the molecular formula of 1-[(4-bromo-2-methylphenoxy)acetyl]-3,5-dimethyl-1H-pyrazole?
The molecular formula of 1-[(4-bromo-2-methylphenoxy)acetyl]-3,5-dimethyl-1H-pyrazole is C14H15BrN2O2.
What is the molecular weight of 1-[(4-bromo-2-methylphenoxy)acetyl]-3,5-dimethyl-1H-pyrazole?
The molecular weight of 1-[(4-bromo-2-methylphenoxy)acetyl]-3,5-dimethyl-1H-pyrazole is 322.03 g/mol.
Where can I buy 1-[(4-bromo-2-methylphenoxy)acetyl]-3,5-dimethyl-1H-pyrazole?
You can request a quote for 1-[(4-bromo-2-methylphenoxy)acetyl]-3,5-dimethyl-1H-pyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(4-bromo-2-methylphenoxy)acetyl]-3,5-dimethyl-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 1-[(4-bromo-2-methylphenoxy)acetyl]-3,5-dimethyl-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.