4,4,4-Trifluoro-3-hydroxy-1-(2-thienyl)-3-(trifluoromethyl)-1-butanone
TL;DR: 4,4,4-Trifluoro-3-hydroxy-1-(2-thienyl)-3-(trifluoromethyl)-1-butanone (CAS 35085-32-6) is a chemical compound with molecular formula C9H6F6O2S and molecular weight 292.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4,4-trifluoro-3-hydroxy-1-thiophen-2-yl-3-(trifluoromethyl)butan-1-one
Also Known As: 4,4,4-Trifluoro-3-hydroxy-1-(2-thienyl)-3-(trifluoromethyl)-1-butanone, NCI60_001184, 4,4,4-trifluoro-3-hydroxy-1-thiophen-2-yl-3-(trifluoromethyl, 4,4,4-trifluoro-3-hydroxy-1-thiophen-2-yl-3-(trifluoromethyl)butan-1-one, 1-Butanone, 4,4,4-trifluoro-3-hydroxy-1-(2-thienyl)-3-(trifluoromethyl)-
| Molecular Formula | C9H6F6O2S |
|---|---|
| Molecular Weight | 292.00 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 65.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 291.99927 |
| Heavy Atoms | 18 |
| Complexity | 310.0 |
Chemical Identifiers
| CAS Number | 35085-32-6 |
|---|---|
| SMILES | C1=CSC(=C1)C(=O)CC(C(F)(F)F)(C(F)(F)F)O |
| InChIKey | XYURDMMAZIHRCO-UHFFFAOYSA-N |
Product Overview
4,4,4-Trifluoro-3-hydroxy-1-(2-thienyl)-3-(trifluoromethyl)-1-butanone (CAS 35085-32-6), with molecular formula C9H6F6O2S and molecular weight 292.00 g/mol. IUPAC: 4,4,4-trifluoro-3-hydroxy-1-thiophen-2-yl-3-(trifluoromethyl)butan-1-one.
Chemical Property Profile of 4,4,4-Trifluoro-3-hydroxy-1-(2-thienyl)-3-(trifluoromethyl)-1-butanone
Property Insights of 4,4,4-Trifluoro-3-hydroxy-1-(2-thienyl)-3-(trifluoromethyl)-1-butanone
The XLogP value of 3.0 indicates that 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 4,4,4-Trifluoro-3-hydroxy-1-(2-thienyl)-3-(trifluoromethyl)-1-butanone. Following Lipinski's Rule of Five, 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 4,4,4-Trifluoro-3-hydroxy-1-(2-thienyl)-3-(trifluoromethyl)-1-butanone?
The CAS number of 4,4,4-Trifluoro-3-hydroxy-1-(2-thienyl)-3-(trifluoromethyl)-1-butanone is 35085-32-6.
What is the molecular formula of 4,4,4-Trifluoro-3-hydroxy-1-(2-thienyl)-3-(trifluoromethyl)-1-butanone?
The molecular formula of 4,4,4-Trifluoro-3-hydroxy-1-(2-thienyl)-3-(trifluoromethyl)-1-butanone is C9H6F6O2S.
What is the molecular weight of 4,4,4-Trifluoro-3-hydroxy-1-(2-thienyl)-3-(trifluoromethyl)-1-butanone?
The molecular weight of 4,4,4-Trifluoro-3-hydroxy-1-(2-thienyl)-3-(trifluoromethyl)-1-butanone is 292.00 g/mol.
Where can I buy 4,4,4-Trifluoro-3-hydroxy-1-(2-thienyl)-3-(trifluoromethyl)-1-butanone?
You can request a quote for 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 4,4,4-Trifluoro-3-hydroxy-1-(2-thienyl)-3-(trifluoromethyl)-1-butanone?
Yes, KEHONG BIO provides custom synthesis services for 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.