2,2-Dichloro-1-pyrazol-1-ylethanone
TL;DR: 2,2-Dichloro-1-pyrazol-1-ylethanone (CAS 39671-63-1) is a chemical compound with molecular formula C5H4Cl2N2O and molecular weight 177.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dichloro-1-pyrazol-1-ylethanone
Also Known As: 1H-Pyrazole,1- -, 2,2-dichloro-1-pyrazol-1-ylethanone, 1-(DICHLOROACETYL)-1H-PYRAZOLE, 2,2-dichloro-1-pyrazol-1-yl-ethanone, 2,2-Dichloro-1-(1H-pyrazol-1-yl)ethanone
| Molecular Formula | C5H4Cl2N2O |
|---|---|
| Molecular Weight | 177.97 g/mol |
| LogP | 1.327 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 177.97006 |
| Heavy Atoms | 10 |
| Complexity | 219.56165 |
Chemical Identifiers
| CAS Number | 39671-63-1 |
|---|---|
| SMILES | C1=CN(N=C1)C(=O)C(Cl)Cl |
Product Overview
2,2-Dichloro-1-pyrazol-1-ylethanone (CAS 39671-63-1), with molecular formula C5H4Cl2N2O and molecular weight 177.97 g/mol. IUPAC: 2,2-dichloro-1-pyrazol-1-ylethanone.
Chemical Property Profile of 2,2-Dichloro-1-pyrazol-1-ylethanone
Property Insights of 2,2-Dichloro-1-pyrazol-1-ylethanone
The XLogP value of 1.327 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Dichloro-1-pyrazol-1-ylethanone. With a topological polar surface area (TPSA) of 34.89 Ų, 2,2-Dichloro-1-pyrazol-1-ylethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Dichloro-1-pyrazol-1-ylethanone 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 2,2-Dichloro-1-pyrazol-1-ylethanone?
The CAS number of 2,2-Dichloro-1-pyrazol-1-ylethanone is 39671-63-1.
What is the molecular formula of 2,2-Dichloro-1-pyrazol-1-ylethanone?
The molecular formula of 2,2-Dichloro-1-pyrazol-1-ylethanone is C5H4Cl2N2O.
What is the molecular weight of 2,2-Dichloro-1-pyrazol-1-ylethanone?
The molecular weight of 2,2-Dichloro-1-pyrazol-1-ylethanone is 177.97 g/mol.
Where can I buy 2,2-Dichloro-1-pyrazol-1-ylethanone?
You can request a quote for 2,2-Dichloro-1-pyrazol-1-ylethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Dichloro-1-pyrazol-1-ylethanone?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Dichloro-1-pyrazol-1-ylethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.