Tert-butyl 2-acetyl-3-(dimethylamino)acrylate
TL;DR: Tert-butyl 2-acetyl-3-(dimethylamino)acrylate (CAS 134653-71-7) 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 2-(dimethylaminomethylidene)-3-oxobutanoate
Also Known As: tert-butyl 2-acetyl-3-(dimethylamino)acrylate, tert-butyl 2-(dimethylaminomethylidene)-3-oxobutanoate, tert-butyl 2-[(dimethylamino)methylidene]-3-oxobutanoate, TERT-BUTYL2-ACETYL-3-(DIMETHYLAMINO)ACRYLATE, tert-butyl 2-((dimethylamino)methylene)-3-oxobutanoate
| 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 | 134653-71-7 |
|---|---|
| SMILES | CC(=O)C(=CN(C)C)C(=O)OC(C)(C)C |
Product Overview
Tert-butyl 2-acetyl-3-(dimethylamino)acrylate (CAS 134653-71-7), with molecular formula C11H19NO3 and molecular weight 213.14 g/mol. IUPAC: tert-butyl 2-(dimethylaminomethylidene)-3-oxobutanoate.
Chemical Property Profile of Tert-butyl 2-acetyl-3-(dimethylamino)acrylate
Property Insights of Tert-butyl 2-acetyl-3-(dimethylamino)acrylate
The XLogP value of 1.3626 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tert-butyl 2-acetyl-3-(dimethylamino)acrylate. With a topological polar surface area (TPSA) of 46.61 Ų, Tert-butyl 2-acetyl-3-(dimethylamino)acrylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tert-butyl 2-acetyl-3-(dimethylamino)acrylate 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 Tert-butyl 2-acetyl-3-(dimethylamino)acrylate?
The CAS number of Tert-butyl 2-acetyl-3-(dimethylamino)acrylate is 134653-71-7.
What is the molecular formula of Tert-butyl 2-acetyl-3-(dimethylamino)acrylate?
The molecular formula of Tert-butyl 2-acetyl-3-(dimethylamino)acrylate is C11H19NO3.
What is the molecular weight of Tert-butyl 2-acetyl-3-(dimethylamino)acrylate?
The molecular weight of Tert-butyl 2-acetyl-3-(dimethylamino)acrylate is 213.14 g/mol.
Where can I buy Tert-butyl 2-acetyl-3-(dimethylamino)acrylate?
You can request a quote for Tert-butyl 2-acetyl-3-(dimethylamino)acrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tert-butyl 2-acetyl-3-(dimethylamino)acrylate?
Yes, KEHONG BIO provides custom synthesis services for Tert-butyl 2-acetyl-3-(dimethylamino)acrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.