TL;DR: 4-(Boc-4-aminophenyl)butanoic acid (CAS 105300-90-1) is a chemical compound with molecular formula C15H21NO4 and molecular weight 279.14706 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]butanoic acid
Also Known As: 4-(Boc-4-aminophenyl)butanoic acid, 4-(BOC-4-AMINOPHENYL)-BUTANOIC ACID, 4-(4-((tert-Butoxycarbonyl)amino)phenyl)butanoic acid, Boc-4-(4-aminophenyl)butanoic acid, 8198AC
| Molecular Formula | C15H21NO4 |
| Molecular Weight | 279.14706 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 75.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 279.14706 Da |
| Heavy Atoms | 20 |
| Complexity | 327.0 |
| SMILES | CC(C)(C)OC(=O)NC1=CC=C(C=C1)CCCC(=O)O |
| InChIKey | JVKQXXXBFHIZTQ-UHFFFAOYSA-N |
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Boc-4-aminophenyl)butanoic acid. The TPSA of 75.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Boc-4-aminophenyl)butanoic acid. Following Lipinski's Rule of Five, 4-(Boc-4-aminophenyl)butanoic acid has 2 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-(Boc-4-aminophenyl)butanoic acid is 105300-90-1.
The molecular formula of 4-(Boc-4-aminophenyl)butanoic acid is C15H21NO4.
The molecular weight of 4-(Boc-4-aminophenyl)butanoic acid is 279.14706 g/mol.
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