2-Ethyl-4,4,4-trifluoro-3-hydroxy-1-(2-thienyl)-3-(trifluoromethyl)-1-butanone
TL;DR: 2-Ethyl-4,4,4-trifluoro-3-hydroxy-1-(2-thienyl)-3-(trifluoromethyl)-1-butanone (CAS 350-93-6) is a chemical compound with molecular formula C11H10F6O2S and molecular weight 320.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethyl-4,4,4-trifluoro-3-hydroxy-1-thiophen-2-yl-3-(trifluoromethyl)butan-1-one
Also Known As: NCI60_001210, 2-ethyl-4,4,4-trifluoro-3-hydroxy-1-(2-thienyl)-3-(trifluoromethyl)-1-butanone, 2-ethyl-4,4,4-trifluoro-3-hydroxy-1-thiophen-2-yl-3-(trifluo, 2-ethyl-4,4,4-trifluoro-3-hydroxy-1-thiophen-2-yl-3-(trifluoromethyl)butan-1-one, 1-Butanone, 2-ethyl-4,4,4-trifluoro-3-hydroxy-1-(2-thienyl)-3-(trifluoromethyl)-
| Molecular Formula | C11H10F6O2S |
|---|---|
| Molecular Weight | 320.03 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 65.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 320.03058 |
| Heavy Atoms | 20 |
| Complexity | 351.0 |
Chemical Identifiers
| CAS Number | 350-93-6 |
|---|---|
| SMILES | CCC(C(=O)C1=CC=CS1)C(C(F)(F)F)(C(F)(F)F)O |
| InChIKey | NYGZGAZDWNXLMT-UHFFFAOYSA-N |
Product Overview
2-Ethyl-4,4,4-trifluoro-3-hydroxy-1-(2-thienyl)-3-(trifluoromethyl)-1-butanone (CAS 350-93-6), with molecular formula C11H10F6O2S and molecular weight 320.03 g/mol. IUPAC: 2-ethyl-4,4,4-trifluoro-3-hydroxy-1-thiophen-2-yl-3-(trifluoromethyl)butan-1-one.
Chemical Property Profile of 2-Ethyl-4,4,4-trifluoro-3-hydroxy-1-(2-thienyl)-3-(trifluoromethyl)-1-butanone
Property Insights of 2-Ethyl-4,4,4-trifluoro-3-hydroxy-1-(2-thienyl)-3-(trifluoromethyl)-1-butanone
The XLogP value of 3.9 indicates that 2-Ethyl-4,4,4-trifluoro-3-hydroxy-1-(2-thienyl)-3-(trifluoromethyl)-1-butanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Ethyl-4,4,4-trifluoro-3-hydroxy-1-(2-thienyl)-3-(trifluoromethyl)-1-butanone. Following Lipinski's Rule of Five, 2-Ethyl-4,4,4-trifluoro-3-hydroxy-1-(2-thienyl)-3-(trifluoromethyl)-1-butanone has 1 hydrogen bond donor(s) and 9 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-Ethyl-4,4,4-trifluoro-3-hydroxy-1-(2-thienyl)-3-(trifluoromethyl)-1-butanone?
The CAS number of 2-Ethyl-4,4,4-trifluoro-3-hydroxy-1-(2-thienyl)-3-(trifluoromethyl)-1-butanone is 350-93-6.
What is the molecular formula of 2-Ethyl-4,4,4-trifluoro-3-hydroxy-1-(2-thienyl)-3-(trifluoromethyl)-1-butanone?
The molecular formula of 2-Ethyl-4,4,4-trifluoro-3-hydroxy-1-(2-thienyl)-3-(trifluoromethyl)-1-butanone is C11H10F6O2S.
What is the molecular weight of 2-Ethyl-4,4,4-trifluoro-3-hydroxy-1-(2-thienyl)-3-(trifluoromethyl)-1-butanone?
The molecular weight of 2-Ethyl-4,4,4-trifluoro-3-hydroxy-1-(2-thienyl)-3-(trifluoromethyl)-1-butanone is 320.03 g/mol.
Where can I buy 2-Ethyl-4,4,4-trifluoro-3-hydroxy-1-(2-thienyl)-3-(trifluoromethyl)-1-butanone?
You can request a quote for 2-Ethyl-4,4,4-trifluoro-3-hydroxy-1-(2-thienyl)-3-(trifluoromethyl)-1-butanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethyl-4,4,4-trifluoro-3-hydroxy-1-(2-thienyl)-3-(trifluoromethyl)-1-butanone?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethyl-4,4,4-trifluoro-3-hydroxy-1-(2-thienyl)-3-(trifluoromethyl)-1-butanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.