![4-[2-chloro-1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]sulfanyl-5-methyl-2-phenyl-1H-pyrazol-3-one structure](/static/products/3393/339349-40-5.webp)
4-[2-chloro-1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]sulfanyl-5-methyl-2-phenyl-1H-pyrazol-3-one
TL;DR: 4-[2-chloro-1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]sulfanyl-5-methyl-2-phenyl-1H-pyrazol-3-one (CAS 339349-40-5) is a chemical compound with molecular formula C13H9ClF6N2O2S and molecular weight 406.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-chloro-1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]sulfanyl-5-methyl-2-phenyl-1H-pyrazol-3-one
Also Known As: 4-[2-chloro-1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]sulfanyl-5-methyl-2-phenyl-1H-pyrazol-3-one, A2740/0116383, 4-{[2-chloro-1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]sulfanyl}-5-methyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one, 4-((2-chloro-1,1,2-trifluoro-2-(trifluoromethoxy)ethyl)thio)-5-methyl-2-phenyl-1H-pyrazol-3(2H)-one, 4-(2-Chloro-1,1,2-trifluoro-2-trifluoromethoxy-ethylsulfanyl)-5-methyl-2-phenyl-1,2-dihydro-pyrazol-3-one
| Molecular Formula | C13H9ClF6N2O2S |
|---|---|
| Molecular Weight | 406.00 g/mol |
| LogP | 4.55742 |
| Topological Polar Surface Area | 47.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 405.99774 |
| Heavy Atoms | 25 |
| Complexity | 803.08594 |
Chemical Identifiers
| CAS Number | 339349-40-5 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1)C2=CC=CC=C2)SC(C(OC(F)(F)F)(F)Cl)(F)F |
Product Overview
4-[2-chloro-1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]sulfanyl-5-methyl-2-phenyl-1H-pyrazol-3-one (CAS 339349-40-5), with molecular formula C13H9ClF6N2O2S and molecular weight 406.00 g/mol. IUPAC: 4-[2-chloro-1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]sulfanyl-5-methyl-2-phenyl-1H-pyrazol-3-one.
Chemical Property Profile of 4-[2-chloro-1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]sulfanyl-5-methyl-2-phenyl-1H-pyrazol-3-one
Property Insights of 4-[2-chloro-1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]sulfanyl-5-methyl-2-phenyl-1H-pyrazol-3-one
The XLogP value of 4.55742 indicates that 4-[2-chloro-1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]sulfanyl-5-methyl-2-phenyl-1H-pyrazol-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.02 Ų, 4-[2-chloro-1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]sulfanyl-5-methyl-2-phenyl-1H-pyrazol-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[2-chloro-1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]sulfanyl-5-methyl-2-phenyl-1H-pyrazol-3-one has 1 hydrogen bond donor(s) and 3 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 4-[2-chloro-1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]sulfanyl-5-methyl-2-phenyl-1H-pyrazol-3-one?
The CAS number of 4-[2-chloro-1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]sulfanyl-5-methyl-2-phenyl-1H-pyrazol-3-one is 339349-40-5.
What is the molecular formula of 4-[2-chloro-1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]sulfanyl-5-methyl-2-phenyl-1H-pyrazol-3-one?
The molecular formula of 4-[2-chloro-1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]sulfanyl-5-methyl-2-phenyl-1H-pyrazol-3-one is C13H9ClF6N2O2S.
What is the molecular weight of 4-[2-chloro-1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]sulfanyl-5-methyl-2-phenyl-1H-pyrazol-3-one?
The molecular weight of 4-[2-chloro-1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]sulfanyl-5-methyl-2-phenyl-1H-pyrazol-3-one is 406.00 g/mol.
Where can I buy 4-[2-chloro-1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]sulfanyl-5-methyl-2-phenyl-1H-pyrazol-3-one?
You can request a quote for 4-[2-chloro-1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]sulfanyl-5-methyl-2-phenyl-1H-pyrazol-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[2-chloro-1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]sulfanyl-5-methyl-2-phenyl-1H-pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 4-[2-chloro-1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]sulfanyl-5-methyl-2-phenyl-1H-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.