Fipronil sulfone
TL;DR: Fipronil sulfone (CAS 120068-36-2) is a chemical compound with molecular formula C12H4Cl2F6N4O2S and molecular weight 451.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfonyl)pyrazole-3-carbonitrile
Also Known As: fipronil sulfone, FIPRONIL-SULFONE, fipronil sulphone, Fipronil metabolite, Methanone, phenyl-3-pyridinyl-
| Molecular Formula | C12H4Cl2F6N4O2S |
|---|---|
| Molecular Weight | 451.93 g/mol |
| LogP | 3.94528 |
| Topological Polar Surface Area | 101.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 451.93362 |
| Heavy Atoms | 27 |
| Complexity | 1046.2661 |
Chemical Identifiers
| CAS Number | 120068-36-2 |
|---|---|
| SMILES | C1=C(C=C(C(=C1Cl)N2C(=C(C(=N2)C#N)S(=O)(=O)C(F)(F)F)N)Cl)C(F)(F)F |
Product Overview
Fipronil sulfone (CAS 120068-36-2), with molecular formula C12H4Cl2F6N4O2S and molecular weight 451.93 g/mol. IUPAC: 5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfonyl)pyrazole-3-carbonitrile.
Chemical Property Profile of Fipronil sulfone
Property Insights of Fipronil sulfone
The XLogP value of 3.94528 indicates that Fipronil sulfone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.77 Ų falls within the moderate polarity range, balancing permeability and solubility for Fipronil sulfone. Following Lipinski's Rule of Five, Fipronil sulfone has 1 hydrogen bond donor(s) and 5 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 Fipronil sulfone?
The CAS number of Fipronil sulfone is 120068-36-2.
What is the molecular formula of Fipronil sulfone?
The molecular formula of Fipronil sulfone is C12H4Cl2F6N4O2S.
What is the molecular weight of Fipronil sulfone?
The molecular weight of Fipronil sulfone is 451.93 g/mol.
Where can I buy Fipronil sulfone?
You can request a quote for Fipronil sulfone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Fipronil sulfone?
Yes, KEHONG BIO provides custom synthesis services for Fipronil sulfone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.