1,1-Dimethylethyl (2Z)-2-((dimethylamino)methylene)-3-oxobutanoate
TL;DR: 1,1-Dimethylethyl (2Z)-2-((dimethylamino)methylene)-3-oxobutanoate (CAS 93552-74-0) is a chemical compound with molecular formula C11H19NO3 and molecular weight 213.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl (2Z)-2-(dimethylaminomethylidene)-3-oxobutanoate
Also Known As: tert-butyl (2Z)-2-[(dimethylamino)methylidene]-3-oxobutanoate, TERT-BUTYL2-ACETYL-3- ACRYLATE, tert-butyl (2Z)-2-(dimethylaminomethylidene)-3-oxobutanoate, t-Butyl 2-acetyl-3-(dimethylamino)acrylate, Butanoic acid, 2-[(dimethylamino)methylene]-3-oxo-, 1,1-dimethylethylester, (2Z)-
| Molecular Formula | C11H19NO3 |
|---|---|
| Molecular Weight | 213.14 g/mol |
| LogP | 1.3626 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 213.13649 |
| Heavy Atoms | 15 |
| Complexity | 284.6984 |
Chemical Identifiers
| CAS Number | 93552-74-0 |
|---|---|
| SMILES | CC(=O)/C(=C/N(C)C)/C(=O)OC(C)(C)C |
Product Overview
1,1-Dimethylethyl (2Z)-2-((dimethylamino)methylene)-3-oxobutanoate (CAS 93552-74-0), with molecular formula C11H19NO3 and molecular weight 213.14 g/mol. IUPAC: tert-butyl (2Z)-2-(dimethylaminomethylidene)-3-oxobutanoate.
Chemical Property Profile of 1,1-Dimethylethyl (2Z)-2-((dimethylamino)methylene)-3-oxobutanoate
Property Insights of 1,1-Dimethylethyl (2Z)-2-((dimethylamino)methylene)-3-oxobutanoate
The XLogP value of 1.3626 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1-Dimethylethyl (2Z)-2-((dimethylamino)methylene)-3-oxobutanoate. With a topological polar surface area (TPSA) of 46.61 Ų, 1,1-Dimethylethyl (2Z)-2-((dimethylamino)methylene)-3-oxobutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1-Dimethylethyl (2Z)-2-((dimethylamino)methylene)-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 1,1-Dimethylethyl (2Z)-2-((dimethylamino)methylene)-3-oxobutanoate?
The CAS number of 1,1-Dimethylethyl (2Z)-2-((dimethylamino)methylene)-3-oxobutanoate is 93552-74-0.
What is the molecular formula of 1,1-Dimethylethyl (2Z)-2-((dimethylamino)methylene)-3-oxobutanoate?
The molecular formula of 1,1-Dimethylethyl (2Z)-2-((dimethylamino)methylene)-3-oxobutanoate is C11H19NO3.
What is the molecular weight of 1,1-Dimethylethyl (2Z)-2-((dimethylamino)methylene)-3-oxobutanoate?
The molecular weight of 1,1-Dimethylethyl (2Z)-2-((dimethylamino)methylene)-3-oxobutanoate is 213.14 g/mol.
Where can I buy 1,1-Dimethylethyl (2Z)-2-((dimethylamino)methylene)-3-oxobutanoate?
You can request a quote for 1,1-Dimethylethyl (2Z)-2-((dimethylamino)methylene)-3-oxobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-Dimethylethyl (2Z)-2-((dimethylamino)methylene)-3-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Dimethylethyl (2Z)-2-((dimethylamino)methylene)-3-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.