1-(4-Chloropyrazol-1-yl)-2-(2-nitrophenoxy)ethanone
TL;DR: 1-(4-Chloropyrazol-1-yl)-2-(2-nitrophenoxy)ethanone (CAS 489408-08-4) is a chemical compound with molecular formula C11H8ClN3O4 and molecular weight 281.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chloropyrazol-1-yl)-2-(2-nitrophenoxy)ethanone
Also Known As: 4-Chloro-1-({2-nitrophenoxy}, 1-(4-chloropyrazol-1-yl)-2-(2-nitrophenoxy)ethanone, 4-chloro-1-({2-nitrophenoxy}acetyl)-1H-pyrazole, 1-(4-chloropyrazolyl)-2-(2-nitrophenoxy)ethan-1-one, 1-(4-chloro-1H-pyrazol-1-yl)-2-(2-nitrophenoxy)ethanone
| Molecular Formula | C11H8ClN3O4 |
|---|---|
| Molecular Weight | 281.02 g/mol |
| LogP | 2.1639 |
| Topological Polar Surface Area | 87.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 281.02032 |
| Heavy Atoms | 19 |
| Complexity | 625.9078 |
Chemical Identifiers
| CAS Number | 489408-08-4 |
|---|---|
| SMILES | C1=CC=C(C(=C1)[N+](=O)[O-])OCC(=O)N2C=C(C=N2)Cl |
Product Overview
1-(4-Chloropyrazol-1-yl)-2-(2-nitrophenoxy)ethanone (CAS 489408-08-4), with molecular formula C11H8ClN3O4 and molecular weight 281.02 g/mol. IUPAC: 1-(4-chloropyrazol-1-yl)-2-(2-nitrophenoxy)ethanone.
Chemical Property Profile of 1-(4-Chloropyrazol-1-yl)-2-(2-nitrophenoxy)ethanone
Property Insights of 1-(4-Chloropyrazol-1-yl)-2-(2-nitrophenoxy)ethanone
The XLogP value of 2.1639 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Chloropyrazol-1-yl)-2-(2-nitrophenoxy)ethanone. The TPSA of 87.26 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Chloropyrazol-1-yl)-2-(2-nitrophenoxy)ethanone. Following Lipinski's Rule of Five, 1-(4-Chloropyrazol-1-yl)-2-(2-nitrophenoxy)ethanone has 0 hydrogen bond donor(s) and 5 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-Chloropyrazol-1-yl)-2-(2-nitrophenoxy)ethanone?
The CAS number of 1-(4-Chloropyrazol-1-yl)-2-(2-nitrophenoxy)ethanone is 489408-08-4.
What is the molecular formula of 1-(4-Chloropyrazol-1-yl)-2-(2-nitrophenoxy)ethanone?
The molecular formula of 1-(4-Chloropyrazol-1-yl)-2-(2-nitrophenoxy)ethanone is C11H8ClN3O4.
What is the molecular weight of 1-(4-Chloropyrazol-1-yl)-2-(2-nitrophenoxy)ethanone?
The molecular weight of 1-(4-Chloropyrazol-1-yl)-2-(2-nitrophenoxy)ethanone is 281.02 g/mol.
Where can I buy 1-(4-Chloropyrazol-1-yl)-2-(2-nitrophenoxy)ethanone?
You can request a quote for 1-(4-Chloropyrazol-1-yl)-2-(2-nitrophenoxy)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Chloropyrazol-1-yl)-2-(2-nitrophenoxy)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Chloropyrazol-1-yl)-2-(2-nitrophenoxy)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.