![4-Oxo-4-[(1-phenylethyl)amino]but-2-enoic acid structure](/static/products/108/108088-06-8.webp)
4-Oxo-4-[(1-phenylethyl)amino]but-2-enoic acid
TL;DR: 4-Oxo-4-[(1-phenylethyl)amino]but-2-enoic acid (CAS 108088-06-8) is a chemical compound with molecular formula C12H13NO3 and molecular weight 219.08954 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-oxo-4-(1-phenylethylamino)but-2-enoic acid
Also Known As: 4-oxo-4-[(1-phenylethyl)amino]but-2-enoic acid, 4-oxo-4-(1-phenylethylamino)but-2-enoic acid, 4-oxo-4-((1-phenylethyl)amino)-2-butenoic acid, 2-Butenoic acid, 4-oxo-4-[(1-phenylethyl)amino]-, (Z)-
Technical Specifications
| Molecular Formula | C12H13NO3 |
| Molecular Weight | 219.08954 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 219.08954 Da |
| Heavy Atoms | 16 |
| Complexity | 280.0 |
| SMILES | CC(C1=CC=CC=C1)NC(=O)C=CC(=O)O |
| InChIKey | YBCNEBVTRKGSFM-UHFFFAOYSA-N |
Chemical Property Profile of 4-Oxo-4-[(1-phenylethyl)amino]but-2-enoic acid
Property Insights of 4-Oxo-4-[(1-phenylethyl)amino]but-2-enoic acid
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Oxo-4-[(1-phenylethyl)amino]but-2-enoic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Oxo-4-[(1-phenylethyl)amino]but-2-enoic acid. Following Lipinski's Rule of Five, 4-Oxo-4-[(1-phenylethyl)amino]but-2-enoic acid has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-Oxo-4-[(1-phenylethyl)amino]but-2-enoic acid?
The CAS number of 4-Oxo-4-[(1-phenylethyl)amino]but-2-enoic acid is 108088-06-8.
What is the molecular formula of 4-Oxo-4-[(1-phenylethyl)amino]but-2-enoic acid?
The molecular formula of 4-Oxo-4-[(1-phenylethyl)amino]but-2-enoic acid is C12H13NO3.
What is the molecular weight of 4-Oxo-4-[(1-phenylethyl)amino]but-2-enoic acid?
The molecular weight of 4-Oxo-4-[(1-phenylethyl)amino]but-2-enoic acid is 219.08954 g/mol.
Where can I buy 4-Oxo-4-[(1-phenylethyl)amino]but-2-enoic acid?
You can request a quote for 4-Oxo-4-[(1-phenylethyl)amino]but-2-enoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Oxo-4-[(1-phenylethyl)amino]but-2-enoic acid?
Yes, CoreyChem provides custom synthesis services for 4-Oxo-4-[(1-phenylethyl)amino]but-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.