![2-[(dimethylamino)methylidene]-4,4,4-trifluoro-1-(2-thienyl)butane-1,3-dione structure](/static/products/6478/647824-56-4.webp)
2-[(dimethylamino)methylidene]-4,4,4-trifluoro-1-(2-thienyl)butane-1,3-dione
TL;DR: 2-[(dimethylamino)methylidene]-4,4,4-trifluoro-1-(2-thienyl)butane-1,3-dione (CAS 647824-56-4) is a chemical compound with molecular formula C11H10F3NO2S and molecular weight 277.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E)-2-(dimethylaminomethylidene)-4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-dione
Also Known As: 2-[(dimethylamino)methylidene]-4,4,4-trifluoro-1-(2-thienyl)butane-1,3-dione, (2E)-2-(dimethylaminomethylidene)-4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-dione
| Molecular Formula | C11H10F3NO2S |
|---|---|
| Molecular Weight | 277.04 g/mol |
| LogP | 2.5077 |
| Topological Polar Surface Area | 37.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 277.03842 |
| Heavy Atoms | 18 |
| Complexity | 474.9778 |
Chemical Identifiers
| CAS Number | 647824-56-4 |
|---|---|
| SMILES | CN(C)/C=C(/C(=O)C1=CC=CS1)\C(=O)C(F)(F)F |
Product Overview
2-[(dimethylamino)methylidene]-4,4,4-trifluoro-1-(2-thienyl)butane-1,3-dione (CAS 647824-56-4), with molecular formula C11H10F3NO2S and molecular weight 277.04 g/mol. IUPAC: (2E)-2-(dimethylaminomethylidene)-4,4,4-trifluoro-1-thiophen-2-ylbutane-1,3-dione.
Chemical Property Profile of 2-[(dimethylamino)methylidene]-4,4,4-trifluoro-1-(2-thienyl)butane-1,3-dione
Property Insights of 2-[(dimethylamino)methylidene]-4,4,4-trifluoro-1-(2-thienyl)butane-1,3-dione
The XLogP value of 2.5077 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(dimethylamino)methylidene]-4,4,4-trifluoro-1-(2-thienyl)butane-1,3-dione. With a topological polar surface area (TPSA) of 37.38 Ų, 2-[(dimethylamino)methylidene]-4,4,4-trifluoro-1-(2-thienyl)butane-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(dimethylamino)methylidene]-4,4,4-trifluoro-1-(2-thienyl)butane-1,3-dione has 0 hydrogen bond donor(s) and 4 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-[(dimethylamino)methylidene]-4,4,4-trifluoro-1-(2-thienyl)butane-1,3-dione?
The CAS number of 2-[(dimethylamino)methylidene]-4,4,4-trifluoro-1-(2-thienyl)butane-1,3-dione is 647824-56-4.
What is the molecular formula of 2-[(dimethylamino)methylidene]-4,4,4-trifluoro-1-(2-thienyl)butane-1,3-dione?
The molecular formula of 2-[(dimethylamino)methylidene]-4,4,4-trifluoro-1-(2-thienyl)butane-1,3-dione is C11H10F3NO2S.
What is the molecular weight of 2-[(dimethylamino)methylidene]-4,4,4-trifluoro-1-(2-thienyl)butane-1,3-dione?
The molecular weight of 2-[(dimethylamino)methylidene]-4,4,4-trifluoro-1-(2-thienyl)butane-1,3-dione is 277.04 g/mol.
Where can I buy 2-[(dimethylamino)methylidene]-4,4,4-trifluoro-1-(2-thienyl)butane-1,3-dione?
You can request a quote for 2-[(dimethylamino)methylidene]-4,4,4-trifluoro-1-(2-thienyl)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 2-[(dimethylamino)methylidene]-4,4,4-trifluoro-1-(2-thienyl)butane-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-[(dimethylamino)methylidene]-4,4,4-trifluoro-1-(2-thienyl)butane-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.