TL;DR: 2-Amino-4-(propan-2-ylsulfinyl)butanoic acid (CAS 104121-62-2) is a chemical compound with molecular formula C7H15NO3S and molecular weight 193.07727 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-amino-4-propan-2-ylsulfinylbutanoic acid
Also Known As: 2-amino-4-(propan-2-ylsulfinyl)butanoic acid, 2-amino-4-propan-2-ylsulfinylbutanoic acid, 2-amino-4-propan-2-ylsulfinyl-butanoic acid, 2-AMINO-4-(PROPANE-2-SULFINYL)BUTANOIC ACID
| Molecular Formula | C7H15NO3S |
| Molecular Weight | 193.07727 g/mol |
| XLogP | -3.2 |
| Topological Polar Surface Area (TPSA) | 99.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 193.07727 Da |
| Heavy Atoms | 12 |
| Complexity | 181.0 |
| SMILES | CC(C)S(=O)CCC(C(=O)O)N |
| InChIKey | TUSHWFKKYUVADU-UHFFFAOYSA-N |
The XLogP value of -3.2 indicates that 2-Amino-4-(propan-2-ylsulfinyl)butanoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 99.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Amino-4-(propan-2-ylsulfinyl)butanoic acid. Following Lipinski's Rule of Five, 2-Amino-4-(propan-2-ylsulfinyl)butanoic acid has 2 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 2-Amino-4-(propan-2-ylsulfinyl)butanoic acid is 104121-62-2.
The molecular formula of 2-Amino-4-(propan-2-ylsulfinyl)butanoic acid is C7H15NO3S.
The molecular weight of 2-Amino-4-(propan-2-ylsulfinyl)butanoic acid is 193.07727 g/mol.
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