2-Benzyl-3-hydroxybutanoic acid
TL;DR: 2-Benzyl-3-hydroxybutanoic acid (CAS 123986-72-1) 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.
2-benzyl-3-hydroxybutanoic acid
Also Known As: 2-Benzyl-3-hydroxybutanoic acid, 2-benzyl-3-hydroxy-butyric acid, 4-(3-Methoxy-phenyl)-oxazole, 2-benzyl-3-hydroxy-butanoic acid, 2-Benzyl-3-hydroxybutanoic acid #
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| 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 | CC(C(CC1=CC=CC=C1)C(=O)O)O |
| InChIKey | SBEUUSFSESLNEA-UHFFFAOYSA-N |
Chemical Property Profile of 2-Benzyl-3-hydroxybutanoic acid
Property Insights of 2-Benzyl-3-hydroxybutanoic acid
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Benzyl-3-hydroxybutanoic acid. With a topological polar surface area (TPSA) of 57.5 Ų, 2-Benzyl-3-hydroxybutanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Benzyl-3-hydroxybutanoic acid has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Benzyl-3-hydroxybutanoic acid?
The CAS number of 2-Benzyl-3-hydroxybutanoic acid is 123986-72-1.
What is the molecular formula of 2-Benzyl-3-hydroxybutanoic acid?
The molecular formula of 2-Benzyl-3-hydroxybutanoic acid is C11H14O3.
What is the molecular weight of 2-Benzyl-3-hydroxybutanoic acid?
The molecular weight of 2-Benzyl-3-hydroxybutanoic acid is 194.0943 g/mol.
Where can I buy 2-Benzyl-3-hydroxybutanoic acid?
You can request a quote for 2-Benzyl-3-hydroxybutanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Benzyl-3-hydroxybutanoic acid?
Yes, CoreyChem provides custom synthesis services for 2-Benzyl-3-hydroxybutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.