TL;DR: (2R,3R)-2-Benzyl-3-hydroxybutyric acid (CAS 107289-17-8) is a chemical compound with molecular formula C11H14O3 and molecular weight 194.0943 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R,3R)-2-benzyl-3-hydroxybutanoic acid
Also Known As: (2R,3R)-2-benzyl-3-hydroxybutanoic acid, (2R,3R)-2-Benzyl-3-hydroxybutyric acid, 2-Benzyl-3-hydroxybutanoic acid, (2R,3R)-2-Benzyl-3-hydroxybutyricacid, Benzenepropanoic acid, a-(1-hydroxyethyl)-, [R-(R*,R*)]- (9CI)
| Molecular Formula | C11H14O3 |
| Molecular Weight | 194.0943 g/mol |
| XLogP | 1.5 |
| Topological Polar Surface Area (TPSA) | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 194.0943 Da |
| Heavy Atoms | 14 |
| Complexity | 185.0 |
| SMILES | C[C@H]([C@@H](CC1=CC=CC=C1)C(=O)O)O |
| InChIKey | SBEUUSFSESLNEA-PSASIEDQSA-N |
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2R,3R)-2-Benzyl-3-hydroxybutyric acid. With a topological polar surface area (TPSA) of 57.5 Ų, (2R,3R)-2-Benzyl-3-hydroxybutyric acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2R,3R)-2-Benzyl-3-hydroxybutyric acid has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (2R,3R)-2-Benzyl-3-hydroxybutyric acid is 107289-17-8.
The molecular formula of (2R,3R)-2-Benzyl-3-hydroxybutyric acid is C11H14O3.
The molecular weight of (2R,3R)-2-Benzyl-3-hydroxybutyric acid is 194.0943 g/mol.
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