TL;DR: CPP32/Apopain Substrate (CAS 169332-61-0) is a chemical compound with molecular formula C30H37N5O13 and molecular weight 675.2388 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(2-acetamido-3-carboxypropanoyl)amino]-5-[[1-[[3-carboxy-1-[(4-methyl-2-oxochromen-7-yl)amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
Also Known As: CPP32/Apopain Substrate, ICE SUBSTRATE, AMC138, ICE (CASPASE I) SUBSTRATE, Acetyl-L-Aspartyl-L-Glutamyl-L-Valyl-L-Aspartic Acid ?-(4-Methyl-Coumaryl-7-Amide)
| Molecular Formula | C30H37N5O13 |
| Molecular Weight | 675.2388 g/mol |
| XLogP | -1.3 |
| Topological Polar Surface Area (TPSA) | 284.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 17 |
| Exact Mass | 675.2388 Da |
| Heavy Atoms | 48 |
| Complexity | 1330.0 |
| SMILES | CC1=CC(=O)OC2=C1C=CC(=C2)NC(=O)C(CC(=O)O)NC(=O)C(C(C)C)NC(=O)C(CCC(=O)O)NC(=O)C(CC(=O)O)NC(=O)C |
| InChIKey | ALZSTTDFHZHSCA-UHFFFAOYSA-N |
The XLogP value of -1.3 indicates that CPP32/Apopain Substrate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 284.0 Ų indicates high polarity, suggesting CPP32/Apopain Substrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CPP32/Apopain Substrate has 8 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of CPP32/Apopain Substrate is 169332-61-0.
The molecular formula of CPP32/Apopain Substrate is C30H37N5O13.
The molecular weight of CPP32/Apopain Substrate is 675.2388 g/mol.
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