![4-(2-hydroxyethyl)-5-methyl-1-{[3-(trifluoromethyl)phenyl]sulfonyl}-1,2-dihydro-3H-pyrazol-3-one structure](/static/products/866/866050-06-8.png)
4-(2-hydroxyethyl)-5-methyl-1-{[3-(trifluoromethyl)phenyl]sulfonyl}-1,2-dihydro-3H-pyrazol-3-one
TL;DR: 4-(2-hydroxyethyl)-5-methyl-1-{[3-(trifluoromethyl)phenyl]sulfonyl}-1,2-dihydro-3H-pyrazol-3-one (CAS 866050-06-8) is a chemical compound with molecular formula C13H13F3N2O4S and molecular weight 350.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-hydroxyethyl)-3-methyl-2-[3-(trifluoromethyl)phenyl]sulfonyl-1H-pyrazol-5-one
Also Known As: 4-(2-hydroxyethyl)-5-methyl-1-{[3-(trifluoromethyl)phenyl]sulfonyl}-1,2-dihydro-3H-pyrazol-3-one, 4-(2-hydroxyethyl)-3-methyl-2-[3-(trifluoromethyl)phenyl]sulfonyl-1H-pyrazol-5-one, 4-(2-hydroxyethyl)-5-methyl-1-[3-(trifluoromethyl)benzenesulfonyl]-2,3-dihydro-1H-pyrazol-3-one, 4-(2-hydroxyethyl)-5-methyl-1-[3-(trifluoromethyl)benzenesulfonyl]-2H-pyrazol-3-one, C13H13F3N2O4S
| Molecular Formula | C13H13F3N2O4S |
|---|---|
| Molecular Weight | 350.05 g/mol |
| LogP | 1.27542 |
| Topological Polar Surface Area | 92.16 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 350.0548 |
| Heavy Atoms | 23 |
| Complexity | 881.3551 |
Chemical Identifiers
| CAS Number | 866050-06-8 |
|---|---|
| SMILES | CC1=C(C(=O)NN1S(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)CCO |
Product Overview
4-(2-hydroxyethyl)-5-methyl-1-{[3-(trifluoromethyl)phenyl]sulfonyl}-1,2-dihydro-3H-pyrazol-3-one (CAS 866050-06-8), with molecular formula C13H13F3N2O4S and molecular weight 350.05 g/mol. IUPAC: 4-(2-hydroxyethyl)-3-methyl-2-[3-(trifluoromethyl)phenyl]sulfonyl-1H-pyrazol-5-one.
Chemical Property Profile of 4-(2-hydroxyethyl)-5-methyl-1-{[3-(trifluoromethyl)phenyl]sulfonyl}-1,2-dihydro-3H-pyrazol-3-one
Property Insights of 4-(2-hydroxyethyl)-5-methyl-1-{[3-(trifluoromethyl)phenyl]sulfonyl}-1,2-dihydro-3H-pyrazol-3-one
The XLogP value of 1.27542 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-hydroxyethyl)-5-methyl-1-{[3-(trifluoromethyl)phenyl]sulfonyl}-1,2-dihydro-3H-pyrazol-3-one. The TPSA of 92.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-hydroxyethyl)-5-methyl-1-{[3-(trifluoromethyl)phenyl]sulfonyl}-1,2-dihydro-3H-pyrazol-3-one. Following Lipinski's Rule of Five, 4-(2-hydroxyethyl)-5-methyl-1-{[3-(trifluoromethyl)phenyl]sulfonyl}-1,2-dihydro-3H-pyrazol-3-one has 2 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 4-(2-hydroxyethyl)-5-methyl-1-{[3-(trifluoromethyl)phenyl]sulfonyl}-1,2-dihydro-3H-pyrazol-3-one?
The CAS number of 4-(2-hydroxyethyl)-5-methyl-1-{[3-(trifluoromethyl)phenyl]sulfonyl}-1,2-dihydro-3H-pyrazol-3-one is 866050-06-8.
What is the molecular formula of 4-(2-hydroxyethyl)-5-methyl-1-{[3-(trifluoromethyl)phenyl]sulfonyl}-1,2-dihydro-3H-pyrazol-3-one?
The molecular formula of 4-(2-hydroxyethyl)-5-methyl-1-{[3-(trifluoromethyl)phenyl]sulfonyl}-1,2-dihydro-3H-pyrazol-3-one is C13H13F3N2O4S.
What is the molecular weight of 4-(2-hydroxyethyl)-5-methyl-1-{[3-(trifluoromethyl)phenyl]sulfonyl}-1,2-dihydro-3H-pyrazol-3-one?
The molecular weight of 4-(2-hydroxyethyl)-5-methyl-1-{[3-(trifluoromethyl)phenyl]sulfonyl}-1,2-dihydro-3H-pyrazol-3-one is 350.05 g/mol.
Where can I buy 4-(2-hydroxyethyl)-5-methyl-1-{[3-(trifluoromethyl)phenyl]sulfonyl}-1,2-dihydro-3H-pyrazol-3-one?
You can request a quote for 4-(2-hydroxyethyl)-5-methyl-1-{[3-(trifluoromethyl)phenyl]sulfonyl}-1,2-dihydro-3H-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-hydroxyethyl)-5-methyl-1-{[3-(trifluoromethyl)phenyl]sulfonyl}-1,2-dihydro-3H-pyrazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-hydroxyethyl)-5-methyl-1-{[3-(trifluoromethyl)phenyl]sulfonyl}-1,2-dihydro-3H-pyrazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.