1-Acetyl-3,5-bis(trifluoromethyl)pyrazole
TL;DR: 1-Acetyl-3,5-bis(trifluoromethyl)pyrazole (CAS 244187-01-7) is a chemical compound with molecular formula C7H4F6N2O and molecular weight 246.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3,5-bis(trifluoromethyl)pyrazol-1-yl]ethanone
Also Known As: 1-Acetyl-3,5-bis(trifluoromethyl)pyrazole, 1-acetyl-3,5-bis(trifluoromethyl)-1h-pyrazole, 1-[3,5-bis(trifluoromethyl)pyrazol-1-yl]ethanone, K-6548, 1-[3,5-bis(trifluoromethyl)-1H-pyrazol-1-yl]ethan-1-one
| Molecular Formula | C7H4F6N2O |
|---|---|
| Molecular Weight | 246.02 g/mol |
| LogP | 2.5808 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 246.02278 |
| Heavy Atoms | 16 |
| Complexity | 415.49203 |
Chemical Identifiers
| CAS Number | 244187-01-7 |
|---|---|
| SMILES | CC(=O)N1C(=CC(=N1)C(F)(F)F)C(F)(F)F |
Product Overview
1-Acetyl-3,5-bis(trifluoromethyl)pyrazole (CAS 244187-01-7), with molecular formula C7H4F6N2O and molecular weight 246.02 g/mol. IUPAC: 1-[3,5-bis(trifluoromethyl)pyrazol-1-yl]ethanone.
Chemical Property Profile of 1-Acetyl-3,5-bis(trifluoromethyl)pyrazole
Property Insights of 1-Acetyl-3,5-bis(trifluoromethyl)pyrazole
The XLogP value of 2.5808 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Acetyl-3,5-bis(trifluoromethyl)pyrazole. With a topological polar surface area (TPSA) of 34.89 Ų, 1-Acetyl-3,5-bis(trifluoromethyl)pyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Acetyl-3,5-bis(trifluoromethyl)pyrazole 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-Acetyl-3,5-bis(trifluoromethyl)pyrazole?
The CAS number of 1-Acetyl-3,5-bis(trifluoromethyl)pyrazole is 244187-01-7.
What is the molecular formula of 1-Acetyl-3,5-bis(trifluoromethyl)pyrazole?
The molecular formula of 1-Acetyl-3,5-bis(trifluoromethyl)pyrazole is C7H4F6N2O.
What is the molecular weight of 1-Acetyl-3,5-bis(trifluoromethyl)pyrazole?
The molecular weight of 1-Acetyl-3,5-bis(trifluoromethyl)pyrazole is 246.02 g/mol.
Where can I buy 1-Acetyl-3,5-bis(trifluoromethyl)pyrazole?
You can request a quote for 1-Acetyl-3,5-bis(trifluoromethyl)pyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Acetyl-3,5-bis(trifluoromethyl)pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 1-Acetyl-3,5-bis(trifluoromethyl)pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.