1-Benzoyl-3,5-bis(trifluoromethyl)pyrazole
TL;DR: 1-Benzoyl-3,5-bis(trifluoromethyl)pyrazole (CAS 134947-25-4) is a chemical compound with molecular formula C12H6F6N2O and molecular weight 308.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3,5-bis(trifluoromethyl)pyrazol-1-yl]-phenylmethanone
Also Known As: 1-Benzoyl-3,5-bis(trifluoromethyl)pyrazole, 2-Octen-4-ol, 1-BENZOYL-3,5-BIS PYRAZOLE, [3,5-bis(trifluoromethyl)pyrazol-1-yl]-phenylmethanone, 1-benzoyl-3,5-bis(trifluoromethyl)-1H-pyrazole
| Molecular Formula | C12H6F6N2O |
|---|---|
| Molecular Weight | 308.04 g/mol |
| LogP | 3.6092 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 308.03842 |
| Heavy Atoms | 21 |
| Complexity | 656.62256 |
Chemical Identifiers
| CAS Number | 134947-25-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)N2C(=CC(=N2)C(F)(F)F)C(F)(F)F |
Product Overview
1-Benzoyl-3,5-bis(trifluoromethyl)pyrazole (CAS 134947-25-4), with molecular formula C12H6F6N2O and molecular weight 308.04 g/mol. IUPAC: [3,5-bis(trifluoromethyl)pyrazol-1-yl]-phenylmethanone.
Chemical Property Profile of 1-Benzoyl-3,5-bis(trifluoromethyl)pyrazole
Property Insights of 1-Benzoyl-3,5-bis(trifluoromethyl)pyrazole
The XLogP value of 3.6092 indicates that 1-Benzoyl-3,5-bis(trifluoromethyl)pyrazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.89 Ų, 1-Benzoyl-3,5-bis(trifluoromethyl)pyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzoyl-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-Benzoyl-3,5-bis(trifluoromethyl)pyrazole?
The CAS number of 1-Benzoyl-3,5-bis(trifluoromethyl)pyrazole is 134947-25-4.
What is the molecular formula of 1-Benzoyl-3,5-bis(trifluoromethyl)pyrazole?
The molecular formula of 1-Benzoyl-3,5-bis(trifluoromethyl)pyrazole is C12H6F6N2O.
What is the molecular weight of 1-Benzoyl-3,5-bis(trifluoromethyl)pyrazole?
The molecular weight of 1-Benzoyl-3,5-bis(trifluoromethyl)pyrazole is 308.04 g/mol.
Where can I buy 1-Benzoyl-3,5-bis(trifluoromethyl)pyrazole?
You can request a quote for 1-Benzoyl-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-Benzoyl-3,5-bis(trifluoromethyl)pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzoyl-3,5-bis(trifluoromethyl)pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.