TL;DR: 2-(3-Benzoylphenyl)propanoic acid--lysine (1/1) (CAS 57469-78-0) is a chemical compound with molecular formula C22H28N2O5 and molecular weight 400.19983 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(3-benzoylphenyl)propanoic acid;(2R)-2,6-diaminohexanoic acid
Also Known As: Lysyl-ketoprofen, Ketoprofen lysine, Ketoprofen lysinate, Ketoprofen lysine salt, D-LYSINE; KETOPROFEN
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C22H28N2O5 |
| Molecular Weight | 400.19983 g/mol |
| XLogP | 2.63 |
| Topological Polar Surface Area (TPSA) | 144.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 400.19983 Da |
| Heavy Atoms | 29 |
| Complexity | 437.0 |
| SMILES | CC(C1=CC(=CC=C1)C(=O)C2=CC=CC=C2)C(=O)O.C(CCN)C[C@H](C(=O)O)N |
| InChIKey | VHIORVCHBUEWEP-QDXATWJZSA-N |
The XLogP value of 2.63 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-Benzoylphenyl)propanoic acid--lysine (1/1). The TPSA of 144.0 Ų indicates high polarity, suggesting 2-(3-Benzoylphenyl)propanoic acid--lysine (1/1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-(3-Benzoylphenyl)propanoic acid--lysine (1/1) has 4 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 2-(3-Benzoylphenyl)propanoic acid--lysine (1/1) is 57469-78-0.
The molecular formula of 2-(3-Benzoylphenyl)propanoic acid--lysine (1/1) is C22H28N2O5.
The molecular weight of 2-(3-Benzoylphenyl)propanoic acid--lysine (1/1) is 400.19983 g/mol.
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