Ethyl 2-((dimethylamino)methylene)-4,4,4-trifluoro-3-oxobutanoate
TL;DR: Ethyl 2-((dimethylamino)methylene)-4,4,4-trifluoro-3-oxobutanoate (CAS 1808006-48-5) is a chemical compound with molecular formula C9H12F3NO3 and molecular weight 239.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2Z)-2-(dimethylaminomethylidene)-4,4,4-trifluoro-3-oxobutanoate
Also Known As: ETHYL 2-TRIFLUOROACETYL-3-(N,N-DIMETHYLAMINO)-2-PR, ethyl 2-trifluoroacetyl-3-(N,N-dimethylamino)-2-propenoate, ethyl 2-((dimethylamino)methylene)-4,4,4-trifluoro-3-oxobutanoate, Ethyl (2Z)-2-(dimethylaminomethylidene)-4,4,4-trifluoro-3-oxo-butanoate, ethyl (2Z)-2-(dimethylaminomethylidene)-4,4,4-trifluoro-3-oxobutanoate
| Molecular Formula | C9H12F3NO3 |
|---|---|
| Molecular Weight | 239.08 g/mol |
| LogP | 1.1264 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 239.07693 |
| Heavy Atoms | 16 |
| Complexity | 307.6113 |
Chemical Identifiers
| CAS Number | 1808006-48-5 |
|---|---|
| SMILES | CCOC(=O)/C(=C\N(C)C)/C(=O)C(F)(F)F |
Product Overview
Ethyl 2-((dimethylamino)methylene)-4,4,4-trifluoro-3-oxobutanoate (CAS 1808006-48-5), with molecular formula C9H12F3NO3 and molecular weight 239.08 g/mol. IUPAC: ethyl (2Z)-2-(dimethylaminomethylidene)-4,4,4-trifluoro-3-oxobutanoate.
Chemical Property Profile of Ethyl 2-((dimethylamino)methylene)-4,4,4-trifluoro-3-oxobutanoate
Property Insights of Ethyl 2-((dimethylamino)methylene)-4,4,4-trifluoro-3-oxobutanoate
The XLogP value of 1.1264 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-((dimethylamino)methylene)-4,4,4-trifluoro-3-oxobutanoate. With a topological polar surface area (TPSA) of 46.61 Ų, Ethyl 2-((dimethylamino)methylene)-4,4,4-trifluoro-3-oxobutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-((dimethylamino)methylene)-4,4,4-trifluoro-3-oxobutanoate 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 Ethyl 2-((dimethylamino)methylene)-4,4,4-trifluoro-3-oxobutanoate?
The CAS number of Ethyl 2-((dimethylamino)methylene)-4,4,4-trifluoro-3-oxobutanoate is 1808006-48-5.
What is the molecular formula of Ethyl 2-((dimethylamino)methylene)-4,4,4-trifluoro-3-oxobutanoate?
The molecular formula of Ethyl 2-((dimethylamino)methylene)-4,4,4-trifluoro-3-oxobutanoate is C9H12F3NO3.
What is the molecular weight of Ethyl 2-((dimethylamino)methylene)-4,4,4-trifluoro-3-oxobutanoate?
The molecular weight of Ethyl 2-((dimethylamino)methylene)-4,4,4-trifluoro-3-oxobutanoate is 239.08 g/mol.
Where can I buy Ethyl 2-((dimethylamino)methylene)-4,4,4-trifluoro-3-oxobutanoate?
You can request a quote for Ethyl 2-((dimethylamino)methylene)-4,4,4-trifluoro-3-oxobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-((dimethylamino)methylene)-4,4,4-trifluoro-3-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-((dimethylamino)methylene)-4,4,4-trifluoro-3-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.