![2,2,2-trifluoro-1-{1-(4-fluorophenyl)-2-methyl-5-[4-(methylsulfonyl)phenyl]-1H-pyrrol-3-yl}-1-ethanone oxime structure](/static/products/4778/477868-45-4.webp)
2,2,2-trifluoro-1-{1-(4-fluorophenyl)-2-methyl-5-[4-(methylsulfonyl)phenyl]-1H-pyrrol-3-yl}-1-ethanone oxime
TL;DR: 2,2,2-trifluoro-1-{1-(4-fluorophenyl)-2-methyl-5-[4-(methylsulfonyl)phenyl]-1H-pyrrol-3-yl}-1-ethanone oxime (CAS 477868-45-4) is a chemical compound with molecular formula C20H16F4N2O3S and molecular weight 440.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]ethylidene]hydroxylamine
Also Known As: 2,2,2-trifluoro-1-{1-(4-fluorophenyl)-2-methyl-5-[4-(methylsulfonyl)phenyl]-1H-pyrrol-3-yl}-1-ethanone oxime, N-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]ethylidene]hydroxylamine
| Molecular Formula | C20H16F4N2O3S |
|---|---|
| Molecular Weight | 440.08 g/mol |
| LogP | 4.73592 |
| Topological Polar Surface Area | 71.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 440.0818 |
| Heavy Atoms | 30 |
| Complexity | 1210.6777 |
Chemical Identifiers
| CAS Number | 477868-45-4 |
|---|---|
| SMILES | CC1=C(C=C(N1C2=CC=C(C=C2)F)C3=CC=C(C=C3)S(=O)(=O)C)C(=NO)C(F)(F)F |
Product Overview
2,2,2-trifluoro-1-{1-(4-fluorophenyl)-2-methyl-5-[4-(methylsulfonyl)phenyl]-1H-pyrrol-3-yl}-1-ethanone oxime (CAS 477868-45-4), with molecular formula C20H16F4N2O3S and molecular weight 440.08 g/mol. IUPAC: N-[2,2,2-trifluoro-1-[1-(4-fluorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrol-3-yl]ethylidene]hydroxylamine.
Chemical Property Profile of 2,2,2-trifluoro-1-{1-(4-fluorophenyl)-2-methyl-5-[4-(methylsulfonyl)phenyl]-1H-pyrrol-3-yl}-1-ethanone oxime
Property Insights of 2,2,2-trifluoro-1-{1-(4-fluorophenyl)-2-methyl-5-[4-(methylsulfonyl)phenyl]-1H-pyrrol-3-yl}-1-ethanone oxime
The XLogP value of 4.73592 indicates that 2,2,2-trifluoro-1-{1-(4-fluorophenyl)-2-methyl-5-[4-(methylsulfonyl)phenyl]-1H-pyrrol-3-yl}-1-ethanone oxime is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.66 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2,2-trifluoro-1-{1-(4-fluorophenyl)-2-methyl-5-[4-(methylsulfonyl)phenyl]-1H-pyrrol-3-yl}-1-ethanone oxime. Following Lipinski's Rule of Five, 2,2,2-trifluoro-1-{1-(4-fluorophenyl)-2-methyl-5-[4-(methylsulfonyl)phenyl]-1H-pyrrol-3-yl}-1-ethanone oxime has 1 hydrogen bond donor(s) and 4 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 2,2,2-trifluoro-1-{1-(4-fluorophenyl)-2-methyl-5-[4-(methylsulfonyl)phenyl]-1H-pyrrol-3-yl}-1-ethanone oxime?
The CAS number of 2,2,2-trifluoro-1-{1-(4-fluorophenyl)-2-methyl-5-[4-(methylsulfonyl)phenyl]-1H-pyrrol-3-yl}-1-ethanone oxime is 477868-45-4.
What is the molecular formula of 2,2,2-trifluoro-1-{1-(4-fluorophenyl)-2-methyl-5-[4-(methylsulfonyl)phenyl]-1H-pyrrol-3-yl}-1-ethanone oxime?
The molecular formula of 2,2,2-trifluoro-1-{1-(4-fluorophenyl)-2-methyl-5-[4-(methylsulfonyl)phenyl]-1H-pyrrol-3-yl}-1-ethanone oxime is C20H16F4N2O3S.
What is the molecular weight of 2,2,2-trifluoro-1-{1-(4-fluorophenyl)-2-methyl-5-[4-(methylsulfonyl)phenyl]-1H-pyrrol-3-yl}-1-ethanone oxime?
The molecular weight of 2,2,2-trifluoro-1-{1-(4-fluorophenyl)-2-methyl-5-[4-(methylsulfonyl)phenyl]-1H-pyrrol-3-yl}-1-ethanone oxime is 440.08 g/mol.
Where can I buy 2,2,2-trifluoro-1-{1-(4-fluorophenyl)-2-methyl-5-[4-(methylsulfonyl)phenyl]-1H-pyrrol-3-yl}-1-ethanone oxime?
You can request a quote for 2,2,2-trifluoro-1-{1-(4-fluorophenyl)-2-methyl-5-[4-(methylsulfonyl)phenyl]-1H-pyrrol-3-yl}-1-ethanone oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,2-trifluoro-1-{1-(4-fluorophenyl)-2-methyl-5-[4-(methylsulfonyl)phenyl]-1H-pyrrol-3-yl}-1-ethanone oxime?
Yes, KEHONG BIO provides custom synthesis services for 2,2,2-trifluoro-1-{1-(4-fluorophenyl)-2-methyl-5-[4-(methylsulfonyl)phenyl]-1H-pyrrol-3-yl}-1-ethanone oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.