TL;DR: Calpain inhibitor II (CAS 110115-07-6) is a chemical compound with molecular formula C19H35N3O4S and molecular weight 401.23483 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-acetamido-4-methyl-N-[4-methyl-1-[(4-methylsulfanyl-1-oxobutan-2-yl)amino]-1-oxopentan-2-yl]pentanamide
Also Known As: Calpain inhibitor II, ALLM, N-Allm, Calpain inhibitor I, N-Ac-Leu-Leu-Methioninal
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C19H35N3O4S |
| Molecular Weight | 401.23483 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 130.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 13 |
| Exact Mass | 401.23483 Da |
| Heavy Atoms | 27 |
| Complexity | 497.0 |
| SMILES | CC(C)CC(C(=O)NC(CC(C)C)C(=O)NC(CCSC)C=O)NC(=O)C |
| InChIKey | RJWLAIMXRBDUMH-UHFFFAOYSA-N |
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Calpain inhibitor II. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Calpain inhibitor II. Following Lipinski's Rule of Five, Calpain inhibitor II has 3 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 Calpain inhibitor II is 110115-07-6.
The molecular formula of Calpain inhibitor II is C19H35N3O4S.
The molecular weight of Calpain inhibitor II is 401.23483 g/mol.
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