4,4,4-Trifluoro-2-methyl-1-(thiophen-2-yl)-3-(trifluoromethyl)but-2-en-1-one
TL;DR: 4,4,4-Trifluoro-2-methyl-1-(thiophen-2-yl)-3-(trifluoromethyl)but-2-en-1-one (CAS 35633-77-3) is a chemical compound with molecular formula C10H6F6OS and molecular weight 288.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4,4-trifluoro-2-methyl-1-thiophen-2-yl-3-(trifluoromethyl)but-2-en-1-one
Also Known As: 4,4,4-trifluoro-2-methyl-1-(thiophen-2-yl)-3-(trifluoromethyl)but-2-en-1-one, 4,4,4-trifluoro-2-methyl-1-thiophen-2-yl-3-(trifluoromethyl)but-2-en-1-one, 2-Buten-1-one, 4,4,4-trifluoro-2-methyl-1-(thiophen-2-yl)-3-(trifluoromethyl)
| Molecular Formula | C10H6F6OS |
|---|---|
| Molecular Weight | 288.00 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 45.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 288.00436 |
| Heavy Atoms | 18 |
| Complexity | 352.0 |
Chemical Identifiers
| CAS Number | 35633-77-3 |
|---|---|
| SMILES | CC(=C(C(F)(F)F)C(F)(F)F)C(=O)C1=CC=CS1 |
| InChIKey | XVIOQRWANXHWNV-UHFFFAOYSA-N |
Product Overview
4,4,4-Trifluoro-2-methyl-1-(thiophen-2-yl)-3-(trifluoromethyl)but-2-en-1-one (CAS 35633-77-3), with molecular formula C10H6F6OS and molecular weight 288.00 g/mol. IUPAC: 4,4,4-trifluoro-2-methyl-1-thiophen-2-yl-3-(trifluoromethyl)but-2-en-1-one.
Chemical Property Profile of 4,4,4-Trifluoro-2-methyl-1-(thiophen-2-yl)-3-(trifluoromethyl)but-2-en-1-one
Property Insights of 4,4,4-Trifluoro-2-methyl-1-(thiophen-2-yl)-3-(trifluoromethyl)but-2-en-1-one
The XLogP value of 4.5 indicates that 4,4,4-Trifluoro-2-methyl-1-(thiophen-2-yl)-3-(trifluoromethyl)but-2-en-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.3 Ų, 4,4,4-Trifluoro-2-methyl-1-(thiophen-2-yl)-3-(trifluoromethyl)but-2-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4,4-Trifluoro-2-methyl-1-(thiophen-2-yl)-3-(trifluoromethyl)but-2-en-1-one has 0 hydrogen bond donor(s) and 8 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-2-methyl-1-(thiophen-2-yl)-3-(trifluoromethyl)but-2-en-1-one?
The CAS number of 4,4,4-Trifluoro-2-methyl-1-(thiophen-2-yl)-3-(trifluoromethyl)but-2-en-1-one is 35633-77-3.
What is the molecular formula of 4,4,4-Trifluoro-2-methyl-1-(thiophen-2-yl)-3-(trifluoromethyl)but-2-en-1-one?
The molecular formula of 4,4,4-Trifluoro-2-methyl-1-(thiophen-2-yl)-3-(trifluoromethyl)but-2-en-1-one is C10H6F6OS.
What is the molecular weight of 4,4,4-Trifluoro-2-methyl-1-(thiophen-2-yl)-3-(trifluoromethyl)but-2-en-1-one?
The molecular weight of 4,4,4-Trifluoro-2-methyl-1-(thiophen-2-yl)-3-(trifluoromethyl)but-2-en-1-one is 288.00 g/mol.
Where can I buy 4,4,4-Trifluoro-2-methyl-1-(thiophen-2-yl)-3-(trifluoromethyl)but-2-en-1-one?
You can request a quote for 4,4,4-Trifluoro-2-methyl-1-(thiophen-2-yl)-3-(trifluoromethyl)but-2-en-1-one 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-2-methyl-1-(thiophen-2-yl)-3-(trifluoromethyl)but-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for 4,4,4-Trifluoro-2-methyl-1-(thiophen-2-yl)-3-(trifluoromethyl)but-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.