TL;DR: 4-Maleimidobutyric Acid (CAS 107914-00-1) is a chemical compound with molecular formula C8H9NO4 and molecular weight 183.05316 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(2,5-dioxopyrrol-1-yl)butanoic acid
Also Known As: 4-Maleimidobutyric acid, N-Maleoyl-GABA, 4-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)butanoic acid, gamma-Maleimidobutyric acid, Maleimide-(CH2)3-COOH
| Molecular Formula | C8H9NO4 |
| Molecular Weight | 183.05316 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 74.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 183.05316 Da |
| Heavy Atoms | 13 |
| Complexity | 264.0 |
| SMILES | C1=CC(=O)N(C1=O)CCCC(=O)O |
| InChIKey | NCPQROHLJFARLL-UHFFFAOYSA-N |
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Maleimidobutyric Acid. The TPSA of 74.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Maleimidobutyric Acid. Following Lipinski's Rule of Five, 4-Maleimidobutyric Acid has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4-Maleimidobutyric Acid is 107914-00-1.
The molecular formula of 4-Maleimidobutyric Acid is C8H9NO4.
The molecular weight of 4-Maleimidobutyric Acid is 183.05316 g/mol.
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