TL;DR: N-{[2-methyl-5-(4-oxo-3,4-dihydrophthalazin-1-yl)phenyl]carbamoyl}-L-leucine (CAS 1173684-07-5) is a chemical compound with molecular formula C22H24N4O4 and molecular weight 408.17975 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-4-methyl-2-[[2-methyl-5-(4-oxo-3H-phthalazin-1-yl)phenyl]carbamoylamino]pentanoic acid
Also Known As: 4-methyl-2-[[2-methyl-5-(4-oxo-3H-phthalazin-1-yl)phenyl]carbamoylamino]pentanoic Acid, N-{[2-methyl-5-(4-oxo-3,4-dihydrophthalazin-1-yl)phenyl]carbamoyl}-L-leucine, (2S)-4-methyl-2-[[2-methyl-5-(4-oxo-3H-phthalazin-1-yl)phenyl]carbamoylamino]pentanoic acid, (S)-4-methyl-2-(3-(2-methyl-5-(4-oxo-3,4-dihydrophthalazin-1-yl)phenyl)ureido)pentanoic acid
| Molecular Formula | C22H24N4O4 |
| Molecular Weight | 408.17975 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 120.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 408.17975 Da |
| Heavy Atoms | 30 |
| Complexity | 693.0 |
| SMILES | CC1=C(C=C(C=C1)C2=NNC(=O)C3=CC=CC=C32)NC(=O)N[C@@H](CC(C)C)C(=O)O |
| InChIKey | UWPHGGUWZISWLU-SFHVURJKSA-N |
The XLogP value of 3.4 indicates that N-{[2-methyl-5-(4-oxo-3,4-dihydrophthalazin-1-yl)phenyl]carbamoyl}-L-leucine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-{[2-methyl-5-(4-oxo-3,4-dihydrophthalazin-1-yl)phenyl]carbamoyl}-L-leucine. Following Lipinski's Rule of Five, N-{[2-methyl-5-(4-oxo-3,4-dihydrophthalazin-1-yl)phenyl]carbamoyl}-L-leucine has 4 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-{[2-methyl-5-(4-oxo-3,4-dihydrophthalazin-1-yl)phenyl]carbamoyl}-L-leucine is 1173684-07-5.
The molecular formula of N-{[2-methyl-5-(4-oxo-3,4-dihydrophthalazin-1-yl)phenyl]carbamoyl}-L-leucine is C22H24N4O4.
The molecular weight of N-{[2-methyl-5-(4-oxo-3,4-dihydrophthalazin-1-yl)phenyl]carbamoyl}-L-leucine is 408.17975 g/mol.
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