TL;DR: 4-((4-Acetamidophenyl)amino)-2-((furan-2-ylmethyl)amino)-4-oxobutanoic acid (CAS 1026766-36-8) is a chemical compound with molecular formula C17H19N3O5 and molecular weight 345.13248 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(4-acetamidoanilino)-2-(furan-2-ylmethylamino)-4-oxobutanoic acid
Also Known As: VU0512764-1, 4-((4-acetamidophenyl)amino)-2-((furan-2-ylmethyl)amino)-4-oxobutanoic acid, F3177-0034, 3-[(4-acetamidophenyl)carbamoyl]-2-(2-furylmethylamino)propanoic Acid, 4-(4-acetamidoanilino)-2-(furan-2-ylmethylamino)-4-oxobutanoic acid
| Molecular Formula | C17H19N3O5 |
| Molecular Weight | 345.13248 g/mol |
| XLogP | -1.7 |
| Topological Polar Surface Area (TPSA) | 121.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 345.13248 Da |
| Heavy Atoms | 25 |
| Complexity | 477.0 |
| SMILES | CC(=O)NC1=CC=C(C=C1)NC(=O)CC(C(=O)O)NCC2=CC=CO2 |
| InChIKey | GHXIZIYDEAHWMV-UHFFFAOYSA-N |
The XLogP value of -1.7 indicates that 4-((4-Acetamidophenyl)amino)-2-((furan-2-ylmethyl)amino)-4-oxobutanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((4-Acetamidophenyl)amino)-2-((furan-2-ylmethyl)amino)-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-((4-Acetamidophenyl)amino)-2-((furan-2-ylmethyl)amino)-4-oxobutanoic acid has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4-((4-Acetamidophenyl)amino)-2-((furan-2-ylmethyl)amino)-4-oxobutanoic acid is 1026766-36-8.
The molecular formula of 4-((4-Acetamidophenyl)amino)-2-((furan-2-ylmethyl)amino)-4-oxobutanoic acid is C17H19N3O5.
The molecular weight of 4-((4-Acetamidophenyl)amino)-2-((furan-2-ylmethyl)amino)-4-oxobutanoic acid is 345.13248 g/mol.
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