1-Benzoyl-5-heptafluoropropyl-3-(trifluoromethyl)pyrazole
TL;DR: 1-Benzoyl-5-heptafluoropropyl-3-(trifluoromethyl)pyrazole (CAS 231301-27-2) is a chemical compound with molecular formula C14H6F10N2O and molecular weight 408.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-(1,1,2,2,3,3,3-heptafluoropropyl)-3-(trifluoromethyl)pyrazol-1-yl]-phenylmethanone
Also Known As: 1-Benzoyl-5-heptafluoropropyl-3-(trifluoromethyl)pyrazole, [5-(1,1,2,2,3,3,3-heptafluoropropyl)-3-(trifluoromethyl)pyrazol-1-yl]-phenyl-methanone, [5-(1,1,2,2,3,3,3-heptafluoropropyl)-3-(trifluoromethyl)pyrazol-1-yl]-phenylmethanone, 1-Benzoyl-5(3)-heptafluoropropyl-3(5)-(trifluoromethyl)pyrazole, 1-Benzoyl-5(3)-heptafluoropropyl)-3(5)-(trifluoromethyl)pyrazole
| Molecular Formula | C14H6F10N2O |
|---|---|
| Molecular Weight | 408.03 g/mol |
| LogP | 4.8798 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 408.03204 |
| Heavy Atoms | 27 |
| Complexity | 835.8183 |
Chemical Identifiers
| CAS Number | 231301-27-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)N2C(=CC(=N2)C(F)(F)F)C(C(C(F)(F)F)(F)F)(F)F |
Product Overview
1-Benzoyl-5-heptafluoropropyl-3-(trifluoromethyl)pyrazole (CAS 231301-27-2), with molecular formula C14H6F10N2O and molecular weight 408.03 g/mol. IUPAC: [5-(1,1,2,2,3,3,3-heptafluoropropyl)-3-(trifluoromethyl)pyrazol-1-yl]-phenylmethanone.
Chemical Property Profile of 1-Benzoyl-5-heptafluoropropyl-3-(trifluoromethyl)pyrazole
Property Insights of 1-Benzoyl-5-heptafluoropropyl-3-(trifluoromethyl)pyrazole
The XLogP value of 4.8798 indicates that 1-Benzoyl-5-heptafluoropropyl-3-(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-5-heptafluoropropyl-3-(trifluoromethyl)pyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Benzoyl-5-heptafluoropropyl-3-(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-5-heptafluoropropyl-3-(trifluoromethyl)pyrazole?
The CAS number of 1-Benzoyl-5-heptafluoropropyl-3-(trifluoromethyl)pyrazole is 231301-27-2.
What is the molecular formula of 1-Benzoyl-5-heptafluoropropyl-3-(trifluoromethyl)pyrazole?
The molecular formula of 1-Benzoyl-5-heptafluoropropyl-3-(trifluoromethyl)pyrazole is C14H6F10N2O.
What is the molecular weight of 1-Benzoyl-5-heptafluoropropyl-3-(trifluoromethyl)pyrazole?
The molecular weight of 1-Benzoyl-5-heptafluoropropyl-3-(trifluoromethyl)pyrazole is 408.03 g/mol.
Where can I buy 1-Benzoyl-5-heptafluoropropyl-3-(trifluoromethyl)pyrazole?
You can request a quote for 1-Benzoyl-5-heptafluoropropyl-3-(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-5-heptafluoropropyl-3-(trifluoromethyl)pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 1-Benzoyl-5-heptafluoropropyl-3-(trifluoromethyl)pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.