1-(4-Bromopyrazol-1-yl)-2-chloroethanone
TL;DR: 1-(4-Bromopyrazol-1-yl)-2-chloroethanone (CAS 514217-70-0) is a chemical compound with molecular formula C5H4BrClN2O and molecular weight 221.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-bromopyrazol-1-yl)-2-chloroethanone
Also Known As: 1-(4-bromopyrazol-1-yl)-2-chloroethanone, 1H-Pyrazole,4-bromo-1- -, 1-(4-bromo-1H-pyrazol-1-yl)-2-chloroethanone, 1-(4-bromo-1H-pyrazol-1-yl)-2-chloroethan-1-one, 1-(4-Bromo-pyrazol-1-yl)-2-chloro-ethanone
| Molecular Formula | C5H4BrClN2O |
|---|---|
| Molecular Weight | 221.92 g/mol |
| LogP | 1.5246 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 221.91956 |
| Heavy Atoms | 10 |
| Complexity | 247.55092 |
Chemical Identifiers
| CAS Number | 514217-70-0 |
|---|---|
| SMILES | C1=C(C=NN1C(=O)CCl)Br |
Product Overview
1-(4-Bromopyrazol-1-yl)-2-chloroethanone (CAS 514217-70-0), with molecular formula C5H4BrClN2O and molecular weight 221.92 g/mol. IUPAC: 1-(4-bromopyrazol-1-yl)-2-chloroethanone.
Chemical Property Profile of 1-(4-Bromopyrazol-1-yl)-2-chloroethanone
Property Insights of 1-(4-Bromopyrazol-1-yl)-2-chloroethanone
The XLogP value of 1.5246 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Bromopyrazol-1-yl)-2-chloroethanone. With a topological polar surface area (TPSA) of 34.89 Ų, 1-(4-Bromopyrazol-1-yl)-2-chloroethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Bromopyrazol-1-yl)-2-chloroethanone 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 1-(4-Bromopyrazol-1-yl)-2-chloroethanone?
The CAS number of 1-(4-Bromopyrazol-1-yl)-2-chloroethanone is 514217-70-0.
What is the molecular formula of 1-(4-Bromopyrazol-1-yl)-2-chloroethanone?
The molecular formula of 1-(4-Bromopyrazol-1-yl)-2-chloroethanone is C5H4BrClN2O.
What is the molecular weight of 1-(4-Bromopyrazol-1-yl)-2-chloroethanone?
The molecular weight of 1-(4-Bromopyrazol-1-yl)-2-chloroethanone is 221.92 g/mol.
Where can I buy 1-(4-Bromopyrazol-1-yl)-2-chloroethanone?
You can request a quote for 1-(4-Bromopyrazol-1-yl)-2-chloroethanone 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-chloroethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Bromopyrazol-1-yl)-2-chloroethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.