4-((3-Aminophenyl)amino)-3-(benzylamino)-4-oxobutanoic acid
TL;DR: 4-((3-Aminophenyl)amino)-3-(benzylamino)-4-oxobutanoic acid (CAS 1030900-29-8) is a chemical compound with molecular formula C17H19N3O3 and molecular weight 313.14264 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(3-aminoanilino)-3-(benzylamino)-4-oxobutanoic acid
Also Known As: 4-((3-aminophenyl)amino)-3-(benzylamino)-4-oxobutanoic acid, 4-(3-aminoanilino)-3-(benzylamino)-4-oxobutanoic acid, 3-[(3-aminophenyl)carbamoyl]-3-(benzylamino)propanoic Acid
Technical Specifications
| Molecular Formula | C17H19N3O3 |
| Molecular Weight | 313.14264 g/mol |
| XLogP | -1.2 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 313.14264 Da |
| Heavy Atoms | 23 |
| Complexity | 397.0 |
| SMILES | C1=CC=C(C=C1)CNC(CC(=O)O)C(=O)NC2=CC=CC(=C2)N |
| InChIKey | KDVHXGSYQBGBLV-UHFFFAOYSA-N |
Chemical Property Profile of 4-((3-Aminophenyl)amino)-3-(benzylamino)-4-oxobutanoic acid
Property Insights of 4-((3-Aminophenyl)amino)-3-(benzylamino)-4-oxobutanoic acid
The XLogP value of -1.2 indicates that 4-((3-Aminophenyl)amino)-3-(benzylamino)-4-oxobutanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((3-Aminophenyl)amino)-3-(benzylamino)-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-((3-Aminophenyl)amino)-3-(benzylamino)-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 4-((3-Aminophenyl)amino)-3-(benzylamino)-4-oxobutanoic acid?
The CAS number of 4-((3-Aminophenyl)amino)-3-(benzylamino)-4-oxobutanoic acid is 1030900-29-8.
What is the molecular formula of 4-((3-Aminophenyl)amino)-3-(benzylamino)-4-oxobutanoic acid?
The molecular formula of 4-((3-Aminophenyl)amino)-3-(benzylamino)-4-oxobutanoic acid is C17H19N3O3.
What is the molecular weight of 4-((3-Aminophenyl)amino)-3-(benzylamino)-4-oxobutanoic acid?
The molecular weight of 4-((3-Aminophenyl)amino)-3-(benzylamino)-4-oxobutanoic acid is 313.14264 g/mol.
Where can I buy 4-((3-Aminophenyl)amino)-3-(benzylamino)-4-oxobutanoic acid?
You can request a quote for 4-((3-Aminophenyl)amino)-3-(benzylamino)-4-oxobutanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-((3-Aminophenyl)amino)-3-(benzylamino)-4-oxobutanoic acid?
Yes, CoreyChem provides custom synthesis services for 4-((3-Aminophenyl)amino)-3-(benzylamino)-4-oxobutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.