2-(Allylamino)-4-((4-hydroxyphenyl)amino)-4-oxobutanoic acid
TL;DR: 2-(Allylamino)-4-((4-hydroxyphenyl)amino)-4-oxobutanoic acid (CAS 1026092-97-6) is a chemical compound with molecular formula C13H16N2O4 and molecular weight 264.111 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(4-hydroxyanilino)-4-oxo-2-(prop-2-enylamino)butanoic acid
Also Known As: 2-(allylamino)-4-((4-hydroxyphenyl)amino)-4-oxobutanoic acid, 4-(4-hydroxyanilino)-4-oxo-2-(prop-2-enylamino)butanoic acid, AF-399/40960459, 2-(allylamino)-4-(4-hydroxyanilino)-4-oxobutanoic acid, F1124-0003
Technical Specifications
| Molecular Formula | C13H16N2O4 |
| Molecular Weight | 264.111 g/mol |
| XLogP | -1.2 |
| Topological Polar Surface Area (TPSA) | 98.7 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 264.111 Da |
| Heavy Atoms | 19 |
| Complexity | 325.0 |
| SMILES | C=CCNC(CC(=O)NC1=CC=C(C=C1)O)C(=O)O |
| InChIKey | OKXLXKDVUPEFKQ-UHFFFAOYSA-N |
Chemical Property Profile of 2-(Allylamino)-4-((4-hydroxyphenyl)amino)-4-oxobutanoic acid
Property Insights of 2-(Allylamino)-4-((4-hydroxyphenyl)amino)-4-oxobutanoic acid
The XLogP value of -1.2 indicates that 2-(Allylamino)-4-((4-hydroxyphenyl)amino)-4-oxobutanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 98.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Allylamino)-4-((4-hydroxyphenyl)amino)-4-oxobutanoic acid. Following Lipinski's Rule of Five, 2-(Allylamino)-4-((4-hydroxyphenyl)amino)-4-oxobutanoic acid has 4 hydrogen bond donor(s) and 5 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-((4-hydroxyphenyl)amino)-4-oxobutanoic acid?
The CAS number of 2-(Allylamino)-4-((4-hydroxyphenyl)amino)-4-oxobutanoic acid is 1026092-97-6.
What is the molecular formula of 2-(Allylamino)-4-((4-hydroxyphenyl)amino)-4-oxobutanoic acid?
The molecular formula of 2-(Allylamino)-4-((4-hydroxyphenyl)amino)-4-oxobutanoic acid is C13H16N2O4.
What is the molecular weight of 2-(Allylamino)-4-((4-hydroxyphenyl)amino)-4-oxobutanoic acid?
The molecular weight of 2-(Allylamino)-4-((4-hydroxyphenyl)amino)-4-oxobutanoic acid is 264.111 g/mol.
Where can I buy 2-(Allylamino)-4-((4-hydroxyphenyl)amino)-4-oxobutanoic acid?
You can request a quote for 2-(Allylamino)-4-((4-hydroxyphenyl)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-((4-hydroxyphenyl)amino)-4-oxobutanoic acid?
Yes, CoreyChem provides custom synthesis services for 2-(Allylamino)-4-((4-hydroxyphenyl)amino)-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.