2-(4-Bromophenoxy)-1-(3,5-dimethylpyrazol-1-yl)ethanone
TL;DR: 2-(4-Bromophenoxy)-1-(3,5-dimethylpyrazol-1-yl)ethanone (CAS 6047-27-4) is a chemical compound with molecular formula C13H13BrN2O2 and molecular weight 308.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-bromophenoxy)-1-(3,5-dimethylpyrazol-1-yl)ethanone
Also Known As: MixCom6_001513, 2-(4-bromophenoxy)-1-(3,5-dimethylpyrazol-1-yl)ethanone, BIM-0031038.P001, 1-[(4-bromophenoxy)acetyl]-3,5-dimethyl-1H-pyrazole, 1-(3,5-dimethylpyrazolyl)-2-(4-bromophenoxy)ethan-1-one
| Molecular Formula | C13H13BrN2O2 |
|---|---|
| Molecular Weight | 308.02 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 44.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 308.01605 |
| Heavy Atoms | 18 |
| Complexity | 293.0 |
Chemical Identifiers
| CAS Number | 6047-27-4 |
|---|---|
| SMILES | CC1=CC(=NN1C(=O)COC2=CC=C(C=C2)Br)C |
| InChIKey | VBJUOYHVGKACGQ-UHFFFAOYSA-N |
Product Overview
2-(4-Bromophenoxy)-1-(3,5-dimethylpyrazol-1-yl)ethanone (CAS 6047-27-4), with molecular formula C13H13BrN2O2 and molecular weight 308.02 g/mol. IUPAC: 2-(4-bromophenoxy)-1-(3,5-dimethylpyrazol-1-yl)ethanone.
Chemical Property Profile of 2-(4-Bromophenoxy)-1-(3,5-dimethylpyrazol-1-yl)ethanone
Property Insights of 2-(4-Bromophenoxy)-1-(3,5-dimethylpyrazol-1-yl)ethanone
The XLogP value of 3.3 indicates that 2-(4-Bromophenoxy)-1-(3,5-dimethylpyrazol-1-yl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.1 Ų, 2-(4-Bromophenoxy)-1-(3,5-dimethylpyrazol-1-yl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Bromophenoxy)-1-(3,5-dimethylpyrazol-1-yl)ethanone 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 2-(4-Bromophenoxy)-1-(3,5-dimethylpyrazol-1-yl)ethanone?
The CAS number of 2-(4-Bromophenoxy)-1-(3,5-dimethylpyrazol-1-yl)ethanone is 6047-27-4.
What is the molecular formula of 2-(4-Bromophenoxy)-1-(3,5-dimethylpyrazol-1-yl)ethanone?
The molecular formula of 2-(4-Bromophenoxy)-1-(3,5-dimethylpyrazol-1-yl)ethanone is C13H13BrN2O2.
What is the molecular weight of 2-(4-Bromophenoxy)-1-(3,5-dimethylpyrazol-1-yl)ethanone?
The molecular weight of 2-(4-Bromophenoxy)-1-(3,5-dimethylpyrazol-1-yl)ethanone is 308.02 g/mol.
Where can I buy 2-(4-Bromophenoxy)-1-(3,5-dimethylpyrazol-1-yl)ethanone?
You can request a quote for 2-(4-Bromophenoxy)-1-(3,5-dimethylpyrazol-1-yl)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-Bromophenoxy)-1-(3,5-dimethylpyrazol-1-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Bromophenoxy)-1-(3,5-dimethylpyrazol-1-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.