4,4,4-Trifluoro-2-methyl-1-(5-methylfuran-2-yl)butane-1,3-dione
TL;DR: 4,4,4-Trifluoro-2-methyl-1-(5-methylfuran-2-yl)butane-1,3-dione (CAS 6394-95-2) is a chemical compound with molecular formula C10H9F3O3 and molecular weight 234.05 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-(5-methylfuran-2-yl)butane-1,3-dione
Also Known As: Diloxanidum [INN-Latin], 4,4,4-trifluoro-2-methyl-1-(5-methylfuran-2-yl)butane-1,3-dione, 4,4,4-trifluoro-2-methyl-1-(5-methyl-2-furyl)butane-1,3-dione
| Molecular Formula | C10H9F3O3 |
|---|---|
| Molecular Weight | 234.05 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 47.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 234.05038 |
| Heavy Atoms | 16 |
| Complexity | 298.0 |
Chemical Identifiers
| CAS Number | 6394-95-2 |
|---|---|
| SMILES | CC1=CC=C(O1)C(=O)C(C)C(=O)C(F)(F)F |
| InChIKey | AKTUINDWRSSVIL-UHFFFAOYSA-N |
Product Overview
4,4,4-Trifluoro-2-methyl-1-(5-methylfuran-2-yl)butane-1,3-dione (CAS 6394-95-2), with molecular formula C10H9F3O3 and molecular weight 234.05 g/mol. IUPAC: 4,4,4-trifluoro-2-methyl-1-(5-methylfuran-2-yl)butane-1,3-dione.
Chemical Property Profile of 4,4,4-Trifluoro-2-methyl-1-(5-methylfuran-2-yl)butane-1,3-dione
Property Insights of 4,4,4-Trifluoro-2-methyl-1-(5-methylfuran-2-yl)butane-1,3-dione
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4,4-Trifluoro-2-methyl-1-(5-methylfuran-2-yl)butane-1,3-dione. With a topological polar surface area (TPSA) of 47.3 Ų, 4,4,4-Trifluoro-2-methyl-1-(5-methylfuran-2-yl)butane-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4,4-Trifluoro-2-methyl-1-(5-methylfuran-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-(5-methylfuran-2-yl)butane-1,3-dione?
The CAS number of 4,4,4-Trifluoro-2-methyl-1-(5-methylfuran-2-yl)butane-1,3-dione is 6394-95-2.
What is the molecular formula of 4,4,4-Trifluoro-2-methyl-1-(5-methylfuran-2-yl)butane-1,3-dione?
The molecular formula of 4,4,4-Trifluoro-2-methyl-1-(5-methylfuran-2-yl)butane-1,3-dione is C10H9F3O3.
What is the molecular weight of 4,4,4-Trifluoro-2-methyl-1-(5-methylfuran-2-yl)butane-1,3-dione?
The molecular weight of 4,4,4-Trifluoro-2-methyl-1-(5-methylfuran-2-yl)butane-1,3-dione is 234.05 g/mol.
Where can I buy 4,4,4-Trifluoro-2-methyl-1-(5-methylfuran-2-yl)butane-1,3-dione?
You can request a quote for 4,4,4-Trifluoro-2-methyl-1-(5-methylfuran-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-(5-methylfuran-2-yl)butane-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 4,4,4-Trifluoro-2-methyl-1-(5-methylfuran-2-yl)butane-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.