2-chloro-1-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)ethanone
TL;DR: 2-chloro-1-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)ethanone (CAS 514218-23-6) is a chemical compound with molecular formula C7H8Cl2N2O and molecular weight 206.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-1-(4-chloro-3,5-dimethylpyrazol-1-yl)ethanone
Also Known As: 2-chloro-1-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)ethanone, 2-chloro-1-(4-chloro-3,5-dimethylpyrazol-1-yl)ethanone, 1H-Pyrazole, 4-chloro-1-(chloroacetyl)-3,5-dimethyl- (9CI), 2-chloro-1-(4-chloro-3,5-dimethyl-1h-pyrazol-1-yl)-1-ethanone, 2-chloro-1-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)ethan-1-one
| Molecular Formula | C7H8Cl2N2O |
|---|---|
| Molecular Weight | 206.00 g/mol |
| LogP | 2.03234 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 206.00137 |
| Heavy Atoms | 12 |
| Complexity | 319.45145 |
Chemical Identifiers
| CAS Number | 514218-23-6 |
|---|---|
| SMILES | CC1=C(C(=NN1C(=O)CCl)C)Cl |
Product Overview
2-chloro-1-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)ethanone (CAS 514218-23-6), with molecular formula C7H8Cl2N2O and molecular weight 206.00 g/mol. IUPAC: 2-chloro-1-(4-chloro-3,5-dimethylpyrazol-1-yl)ethanone.
Chemical Property Profile of 2-chloro-1-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)ethanone
Property Insights of 2-chloro-1-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)ethanone
The XLogP value of 2.03234 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-chloro-1-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)ethanone. With a topological polar surface area (TPSA) of 34.89 Ų, 2-chloro-1-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-chloro-1-(4-chloro-3,5-dimethyl-1H-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-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)ethanone?
The CAS number of 2-chloro-1-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)ethanone is 514218-23-6.
What is the molecular formula of 2-chloro-1-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)ethanone?
The molecular formula of 2-chloro-1-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)ethanone is C7H8Cl2N2O.
What is the molecular weight of 2-chloro-1-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)ethanone?
The molecular weight of 2-chloro-1-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)ethanone is 206.00 g/mol.
Where can I buy 2-chloro-1-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)ethanone?
You can request a quote for 2-chloro-1-(4-chloro-3,5-dimethyl-1H-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-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-1-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.