2-Chloro-1-pyrazol-1-yl-ethanone
TL;DR: 2-Chloro-1-pyrazol-1-yl-ethanone (CAS 28998-74-5) is a chemical compound with molecular formula C5H5ClN2O and molecular weight 144.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-1-pyrazol-1-ylethanone
Also Known As: 2-Chloro-1-pyrazol-1-yl-ethanone, N-chloroacetylpyrazole, 2-chloro-1-pyrazol-1-ylethanone, 1H-Pyrazole,1- -, 2-chloro-1-(pyrazol-1-yl)ethanone
| Molecular Formula | C5H5ClN2O |
|---|---|
| Molecular Weight | 144.01 g/mol |
| LogP | 0.7621 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 144.00903 |
| Heavy Atoms | 9 |
| Complexity | 194.73273 |
Chemical Identifiers
| CAS Number | 28998-74-5 |
|---|---|
| SMILES | C1=CN(N=C1)C(=O)CCl |
Product Overview
2-Chloro-1-pyrazol-1-yl-ethanone (CAS 28998-74-5), with molecular formula C5H5ClN2O and molecular weight 144.01 g/mol. IUPAC: 2-chloro-1-pyrazol-1-ylethanone.
Chemical Property Profile of 2-Chloro-1-pyrazol-1-yl-ethanone
Property Insights of 2-Chloro-1-pyrazol-1-yl-ethanone
The XLogP value of 0.7621 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-1-pyrazol-1-yl-ethanone. With a topological polar surface area (TPSA) of 34.89 Ų, 2-Chloro-1-pyrazol-1-yl-ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-1-pyrazol-1-yl-ethanone 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 2-Chloro-1-pyrazol-1-yl-ethanone?
The CAS number of 2-Chloro-1-pyrazol-1-yl-ethanone is 28998-74-5.
What is the molecular formula of 2-Chloro-1-pyrazol-1-yl-ethanone?
The molecular formula of 2-Chloro-1-pyrazol-1-yl-ethanone is C5H5ClN2O.
What is the molecular weight of 2-Chloro-1-pyrazol-1-yl-ethanone?
The molecular weight of 2-Chloro-1-pyrazol-1-yl-ethanone is 144.01 g/mol.
Where can I buy 2-Chloro-1-pyrazol-1-yl-ethanone?
You can request a quote for 2-Chloro-1-pyrazol-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-Chloro-1-pyrazol-1-yl-ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-1-pyrazol-1-yl-ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.