4,4,4-Trifluoro-2-methyl-1-(thiophen-2-yl)butane-1,3-dione
TL;DR: 4,4,4-Trifluoro-2-methyl-1-(thiophen-2-yl)butane-1,3-dione (CAS 39217-31-7) is a chemical compound with molecular formula C9H7F3O2S and molecular weight 236.01 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-ylbutane-1,3-dione
Also Known As: 4,4,4-trifluoro-2-methyl-1-(thiophen-2-yl)butane-1,3-dione, 4,4,4-trifluoro-2-methyl-1-thiophen-2-ylbutane-1,3-dione, 2-methyl-4,4,4-trifluoro-1-(2-thienyl)butane-1,3-dione, 4,4,4-trifluoro-2-methyl-1-thiophen-2-yl-butane-1,3-dione
| Molecular Formula | C9H7F3O2S |
|---|---|
| Molecular Weight | 236.01 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 62.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 236.01189 |
| Heavy Atoms | 15 |
| Complexity | 275.0 |
Chemical Identifiers
| CAS Number | 39217-31-7 |
|---|---|
| SMILES | CC(C(=O)C1=CC=CS1)C(=O)C(F)(F)F |
| InChIKey | LNFZYORXYAGXJK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,4,4-Trifluoro-2-methyl-1-(thiophen-2-yl)butane-1,3-dione (CAS 39217-31-7), with molecular formula C9H7F3O2S and molecular weight 236.01 g/mol. IUPAC: 4,4,4-trifluoro-2-methyl-1-thiophen-2-ylbutane-1,3-dione.
Chemical Property Profile of 4,4,4-Trifluoro-2-methyl-1-(thiophen-2-yl)butane-1,3-dione
Property Insights of 4,4,4-Trifluoro-2-methyl-1-(thiophen-2-yl)butane-1,3-dione
The XLogP value of 3.2 indicates that 4,4,4-Trifluoro-2-methyl-1-(thiophen-2-yl)butane-1,3-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,4,4-Trifluoro-2-methyl-1-(thiophen-2-yl)butane-1,3-dione. Following Lipinski's Rule of Five, 4,4,4-Trifluoro-2-methyl-1-(thiophen-2-yl)butane-1,3-dione has 0 hydrogen bond donor(s) and 6 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)butane-1,3-dione?
The CAS number of 4,4,4-Trifluoro-2-methyl-1-(thiophen-2-yl)butane-1,3-dione is 39217-31-7.
What is the molecular formula of 4,4,4-Trifluoro-2-methyl-1-(thiophen-2-yl)butane-1,3-dione?
The molecular formula of 4,4,4-Trifluoro-2-methyl-1-(thiophen-2-yl)butane-1,3-dione is C9H7F3O2S.
What is the molecular weight of 4,4,4-Trifluoro-2-methyl-1-(thiophen-2-yl)butane-1,3-dione?
The molecular weight of 4,4,4-Trifluoro-2-methyl-1-(thiophen-2-yl)butane-1,3-dione is 236.01 g/mol.
Where can I buy 4,4,4-Trifluoro-2-methyl-1-(thiophen-2-yl)butane-1,3-dione?
You can request a quote for 4,4,4-Trifluoro-2-methyl-1-(thiophen-2-yl)butane-1,3-dione 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)butane-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 4,4,4-Trifluoro-2-methyl-1-(thiophen-2-yl)butane-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.