1-(4-Bromopyrazol-1-yl)-2-(4-ethylphenoxy)propan-1-one
TL;DR: 1-(4-Bromopyrazol-1-yl)-2-(4-ethylphenoxy)propan-1-one (CAS 514218-35-0) 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.
1-(4-bromopyrazol-1-yl)-2-(4-ethylphenoxy)propan-1-one
Also Known As: 1-(4-bromopyrazol-1-yl)-2-(4-ethylphenoxy)propan-1-one, 1-(4-bromopyrazolyl)-2-(4-ethylphenoxy)propan-1-one, 1-(4-bromo-1H-pyrazol-1-yl)-2-(4-ethylphenoxy)propan-1-one, 1-(4-BROMO-1H-PYRAZOL-1-YL)-2-(4-ETHYLPHENOXY)-1-PROPANONE
| Molecular Formula | C14H15BrN2O2 |
|---|---|
| Molecular Weight | 322.03 g/mol |
| LogP | 3.3157 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 322.03168 |
| Heavy Atoms | 19 |
| Complexity | 563.0799 |
Chemical Identifiers
| CAS Number | 514218-35-0 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)OC(C)C(=O)N2C=C(C=N2)Br |
Product Overview
1-(4-Bromopyrazol-1-yl)-2-(4-ethylphenoxy)propan-1-one (CAS 514218-35-0), with molecular formula C14H15BrN2O2 and molecular weight 322.03 g/mol. IUPAC: 1-(4-bromopyrazol-1-yl)-2-(4-ethylphenoxy)propan-1-one.
Chemical Property Profile of 1-(4-Bromopyrazol-1-yl)-2-(4-ethylphenoxy)propan-1-one
Property Insights of 1-(4-Bromopyrazol-1-yl)-2-(4-ethylphenoxy)propan-1-one
The XLogP value of 3.3157 indicates that 1-(4-Bromopyrazol-1-yl)-2-(4-ethylphenoxy)propan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.12 Ų, 1-(4-Bromopyrazol-1-yl)-2-(4-ethylphenoxy)propan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Bromopyrazol-1-yl)-2-(4-ethylphenoxy)propan-1-one 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-Bromopyrazol-1-yl)-2-(4-ethylphenoxy)propan-1-one?
The CAS number of 1-(4-Bromopyrazol-1-yl)-2-(4-ethylphenoxy)propan-1-one is 514218-35-0.
What is the molecular formula of 1-(4-Bromopyrazol-1-yl)-2-(4-ethylphenoxy)propan-1-one?
The molecular formula of 1-(4-Bromopyrazol-1-yl)-2-(4-ethylphenoxy)propan-1-one is C14H15BrN2O2.
What is the molecular weight of 1-(4-Bromopyrazol-1-yl)-2-(4-ethylphenoxy)propan-1-one?
The molecular weight of 1-(4-Bromopyrazol-1-yl)-2-(4-ethylphenoxy)propan-1-one is 322.03 g/mol.
Where can I buy 1-(4-Bromopyrazol-1-yl)-2-(4-ethylphenoxy)propan-1-one?
You can request a quote for 1-(4-Bromopyrazol-1-yl)-2-(4-ethylphenoxy)propan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Bromopyrazol-1-yl)-2-(4-ethylphenoxy)propan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Bromopyrazol-1-yl)-2-(4-ethylphenoxy)propan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.