TL;DR: 2-[2-(Cyclohexen-1-yl)ethylamino]-4-(2,5-dimethoxyanilino)-4-oxobutanoic acid (CAS 1025759-31-2) is a chemical compound with molecular formula C20H28N2O5 and molecular weight 376.19983 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-(cyclohexen-1-yl)ethylamino]-4-(2,5-dimethoxyanilino)-4-oxobutanoic acid
Also Known As: 2-[2-(cyclohexen-1-yl)ethylamino]-4-(2,5-dimethoxyanilino)-4-oxobutanoic acid, F1124-0024, 2-((2-(cyclohex-1-en-1-yl)ethyl)amino)-4-((2,5-dimethoxyphenyl)amino)-4-oxobutanoic acid, 2-{[2-(CYCLOHEX-1-EN-1-YL)ETHYL]AMINO}-3-[(2,5-DIMETHOXYPHENYL)CARBAMOYL]PROPANOIC ACID, N~2~-[2-(1-cyclohexen-1-yl)ethyl]-N~4~-(2,5-dimethoxyphenyl)asparagine
| Molecular Formula | C20H28N2O5 |
| Molecular Weight | 376.19983 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 96.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 376.19983 Da |
| Heavy Atoms | 27 |
| Complexity | 523.0 |
| SMILES | COC1=CC(=C(C=C1)OC)NC(=O)CC(C(=O)O)NCCC2=CCCCC2 |
| InChIKey | AFTBUXCWKWDELU-UHFFFAOYSA-N |
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[2-(Cyclohexen-1-yl)ethylamino]-4-(2,5-dimethoxyanilino)-4-oxobutanoic acid. The TPSA of 96.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[2-(Cyclohexen-1-yl)ethylamino]-4-(2,5-dimethoxyanilino)-4-oxobutanoic acid. Following Lipinski's Rule of Five, 2-[2-(Cyclohexen-1-yl)ethylamino]-4-(2,5-dimethoxyanilino)-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 2-[2-(Cyclohexen-1-yl)ethylamino]-4-(2,5-dimethoxyanilino)-4-oxobutanoic acid is 1025759-31-2.
The molecular formula of 2-[2-(Cyclohexen-1-yl)ethylamino]-4-(2,5-dimethoxyanilino)-4-oxobutanoic acid is C20H28N2O5.
The molecular weight of 2-[2-(Cyclohexen-1-yl)ethylamino]-4-(2,5-dimethoxyanilino)-4-oxobutanoic acid is 376.19983 g/mol.
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