Ethyl 4-(dimethylamino)-2-oxo-but-3-enoate
TL;DR: Ethyl 4-(dimethylamino)-2-oxo-but-3-enoate (CAS 1260824-43-8) is a chemical compound with molecular formula C8H13NO3 and molecular weight 171.08954 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-(dimethylamino)-2-oxobut-3-enoate
Also Known As: ethyl 4-(dimethylamino)-2-oxobut-3-enoate, 4-Dimethylamino-2-oxo-but-3-enoic acid ethyl ester, ethyl 4-(dimethylamino)-2-oxo-but-3-enoate, Ethyl 4-dimethylamino-2-oxo-3-butenoate, ethyl 4-dimethylamino-2-oxo-but-3-enoate
Technical Specifications
| Molecular Formula | C8H13NO3 |
| Molecular Weight | 171.08954 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 171.08954 Da |
| Heavy Atoms | 12 |
| Complexity | 196.0 |
| SMILES | CCOC(=O)C(=O)C=CN(C)C |
| InChIKey | GTCBVGDJIQFBFF-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 4-(dimethylamino)-2-oxo-but-3-enoate
Property Insights of Ethyl 4-(dimethylamino)-2-oxo-but-3-enoate
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-(dimethylamino)-2-oxo-but-3-enoate. With a topological polar surface area (TPSA) of 46.6 Ų, Ethyl 4-(dimethylamino)-2-oxo-but-3-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-(dimethylamino)-2-oxo-but-3-enoate 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
What is the CAS number of Ethyl 4-(dimethylamino)-2-oxo-but-3-enoate?
The CAS number of Ethyl 4-(dimethylamino)-2-oxo-but-3-enoate is 1260824-43-8.
What is the molecular formula of Ethyl 4-(dimethylamino)-2-oxo-but-3-enoate?
The molecular formula of Ethyl 4-(dimethylamino)-2-oxo-but-3-enoate is C8H13NO3.
What is the molecular weight of Ethyl 4-(dimethylamino)-2-oxo-but-3-enoate?
The molecular weight of Ethyl 4-(dimethylamino)-2-oxo-but-3-enoate is 171.08954 g/mol.
Where can I buy Ethyl 4-(dimethylamino)-2-oxo-but-3-enoate?
You can request a quote for Ethyl 4-(dimethylamino)-2-oxo-but-3-enoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 4-(dimethylamino)-2-oxo-but-3-enoate?
Yes, CoreyChem provides custom synthesis services for Ethyl 4-(dimethylamino)-2-oxo-but-3-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.