2-(Allylamino)-4-((2,4-dimethylphenyl)amino)-4-oxobutanoic acid
TL;DR: 2-(Allylamino)-4-((2,4-dimethylphenyl)amino)-4-oxobutanoic acid (CAS 1025773-45-8) is a chemical compound with molecular formula C15H20N2O3 and molecular weight 276.1474 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(2,4-dimethylanilino)-4-oxo-2-(prop-2-enylamino)butanoic acid
Also Known As: 2-(allylamino)-4-((2,4-dimethylphenyl)amino)-4-oxobutanoic acid, F1278-0509, 4-(2,4-dimethylanilino)-4-oxo-2-(prop-2-enylamino)butanoic acid, 2-(allylamino)-3-(N-2,4-xylylcarbamoyl)propionic acid, 3-[(2,4-dimethylphenyl)carbamoyl]-2-(prop-2-enylamino)propanoic Acid
Technical Specifications
| Molecular Formula | C15H20N2O3 |
| Molecular Weight | 276.1474 g/mol |
| XLogP | -0.1 |
| Topological Polar Surface Area (TPSA) | 78.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 276.1474 Da |
| Heavy Atoms | 20 |
| Complexity | 357.0 |
| SMILES | CC1=CC(=C(C=C1)NC(=O)CC(C(=O)O)NCC=C)C |
| InChIKey | YEOHGPJGASBRIV-UHFFFAOYSA-N |
Chemical Property Profile of 2-(Allylamino)-4-((2,4-dimethylphenyl)amino)-4-oxobutanoic acid
Property Insights of 2-(Allylamino)-4-((2,4-dimethylphenyl)amino)-4-oxobutanoic acid
The XLogP value of -0.1 indicates that 2-(Allylamino)-4-((2,4-dimethylphenyl)amino)-4-oxobutanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 78.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Allylamino)-4-((2,4-dimethylphenyl)amino)-4-oxobutanoic acid. Following Lipinski's Rule of Five, 2-(Allylamino)-4-((2,4-dimethylphenyl)amino)-4-oxobutanoic acid has 3 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 2-(Allylamino)-4-((2,4-dimethylphenyl)amino)-4-oxobutanoic acid?
The CAS number of 2-(Allylamino)-4-((2,4-dimethylphenyl)amino)-4-oxobutanoic acid is 1025773-45-8.
What is the molecular formula of 2-(Allylamino)-4-((2,4-dimethylphenyl)amino)-4-oxobutanoic acid?
The molecular formula of 2-(Allylamino)-4-((2,4-dimethylphenyl)amino)-4-oxobutanoic acid is C15H20N2O3.
What is the molecular weight of 2-(Allylamino)-4-((2,4-dimethylphenyl)amino)-4-oxobutanoic acid?
The molecular weight of 2-(Allylamino)-4-((2,4-dimethylphenyl)amino)-4-oxobutanoic acid is 276.1474 g/mol.
Where can I buy 2-(Allylamino)-4-((2,4-dimethylphenyl)amino)-4-oxobutanoic acid?
You can request a quote for 2-(Allylamino)-4-((2,4-dimethylphenyl)amino)-4-oxobutanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(Allylamino)-4-((2,4-dimethylphenyl)amino)-4-oxobutanoic acid?
Yes, CoreyChem provides custom synthesis services for 2-(Allylamino)-4-((2,4-dimethylphenyl)amino)-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.