TL;DR: 4-((2-Methoxyphenyl)amino)-2-((3-morpholinopropyl)amino)-4-oxobutanoic acid (CAS 1025759-45-8) is a chemical compound with molecular formula C18H27N3O5 and molecular weight 365.19507 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(2-methoxyanilino)-2-(3-morpholin-4-ylpropylamino)-4-oxobutanoic acid
Also Known As: 4-((2-methoxyphenyl)amino)-2-((3-morpholinopropyl)amino)-4-oxobutanoic acid, AF-399/40960626, 4-(2-methoxyanilino)-2-(3-morpholin-4-ylpropylamino)-4-oxobutanoic acid, F1124-0044, N~4~-(2-methoxyphenyl)-N~2~-[3-(4-morpholinyl)propyl]asparagine
| Molecular Formula | C18H27N3O5 |
| Molecular Weight | 365.19507 g/mol |
| XLogP | -1.5 |
| Topological Polar Surface Area (TPSA) | 100.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 365.19507 Da |
| Heavy Atoms | 26 |
| Complexity | 443.0 |
| SMILES | COC1=CC=CC=C1NC(=O)CC(C(=O)O)NCCCN2CCOCC2 |
| InChIKey | CODASNGPLSPUDI-UHFFFAOYSA-N |
The XLogP value of -1.5 indicates that 4-((2-Methoxyphenyl)amino)-2-((3-morpholinopropyl)amino)-4-oxobutanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((2-Methoxyphenyl)amino)-2-((3-morpholinopropyl)amino)-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-((2-Methoxyphenyl)amino)-2-((3-morpholinopropyl)amino)-4-oxobutanoic acid has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4-((2-Methoxyphenyl)amino)-2-((3-morpholinopropyl)amino)-4-oxobutanoic acid is 1025759-45-8.
The molecular formula of 4-((2-Methoxyphenyl)amino)-2-((3-morpholinopropyl)amino)-4-oxobutanoic acid is C18H27N3O5.
The molecular weight of 4-((2-Methoxyphenyl)amino)-2-((3-morpholinopropyl)amino)-4-oxobutanoic acid is 365.19507 g/mol.
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