TL;DR: 4-((2,3-Dichlorophenyl)amino)-2-((2-morpholinoethyl)amino)-4-oxobutanoic acid (CAS 1026783-34-5) is a chemical compound with molecular formula C16H21Cl2N3O4 and molecular weight 389.0909 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(2,3-dichloroanilino)-2-(2-morpholin-4-ylethylamino)-4-oxobutanoic acid
Also Known As: 4-((2,3-dichlorophenyl)amino)-2-((2-morpholinoethyl)amino)-4-oxobutanoic acid, AF-399/42309213, 4-(2,3-dichloroanilino)-2-(2-morpholin-4-ylethylamino)-4-oxobutanoic acid, F1278-0660, 3-[(2,3-dichlorophenyl)carbamoyl]-2-(2-morpholin-4-ylethylamino)propanoic Acid
| Molecular Formula | C16H21Cl2N3O4 |
| Molecular Weight | 389.0909 g/mol |
| XLogP | -0.6 |
| Topological Polar Surface Area (TPSA) | 90.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 389.0909 Da |
| Heavy Atoms | 25 |
| Complexity | 449.0 |
| SMILES | C1COCCN1CCNC(CC(=O)NC2=C(C(=CC=C2)Cl)Cl)C(=O)O |
| InChIKey | BVMPWHPOQBZIFH-UHFFFAOYSA-N |
The XLogP value of -0.6 indicates that 4-((2,3-Dichlorophenyl)amino)-2-((2-morpholinoethyl)amino)-4-oxobutanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 90.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((2,3-Dichlorophenyl)amino)-2-((2-morpholinoethyl)amino)-4-oxobutanoic acid. Following Lipinski's Rule of Five, 4-((2,3-Dichlorophenyl)amino)-2-((2-morpholinoethyl)amino)-4-oxobutanoic acid has 3 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-((2,3-Dichlorophenyl)amino)-2-((2-morpholinoethyl)amino)-4-oxobutanoic acid is 1026783-34-5.
The molecular formula of 4-((2,3-Dichlorophenyl)amino)-2-((2-morpholinoethyl)amino)-4-oxobutanoic acid is C16H21Cl2N3O4.
The molecular weight of 4-((2,3-Dichlorophenyl)amino)-2-((2-morpholinoethyl)amino)-4-oxobutanoic acid is 389.0909 g/mol.
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