4-Hydroxy-3-phenylbutanoic acid
TL;DR: 4-Hydroxy-3-phenylbutanoic acid (CAS 27885-87-6) is a chemical compound with molecular formula C10H12O3 and molecular weight 180.07864 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-hydroxy-3-phenylbutanoic acid
Also Known As: 3-Phenyl-4-hydroxybutyric acid, 4-hydroxy-3-phenylbutanoic acid, ?-phenyl GHB (sodium salt), beta-Phenyl-gamma-hydroxybutyric acid, 4-hydroxy-3-phenyl-butanoic Acid
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H12O3 |
| Molecular Weight | 180.07864 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 180.07864 Da |
| Heavy Atoms | 13 |
| Complexity | 162.0 |
| SMILES | C1=CC=C(C=C1)C(CC(=O)O)CO |
| InChIKey | SNIJITOETJVRFY-UHFFFAOYSA-N |
Chemical Property Profile of 4-Hydroxy-3-phenylbutanoic acid
Property Insights of 4-Hydroxy-3-phenylbutanoic acid
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Hydroxy-3-phenylbutanoic acid. With a topological polar surface area (TPSA) of 57.5 Ų, 4-Hydroxy-3-phenylbutanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Hydroxy-3-phenylbutanoic 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 4-Hydroxy-3-phenylbutanoic acid?
The CAS number of 4-Hydroxy-3-phenylbutanoic acid is 27885-87-6.
What is the molecular formula of 4-Hydroxy-3-phenylbutanoic acid?
The molecular formula of 4-Hydroxy-3-phenylbutanoic acid is C10H12O3.
What is the molecular weight of 4-Hydroxy-3-phenylbutanoic acid?
The molecular weight of 4-Hydroxy-3-phenylbutanoic acid is 180.07864 g/mol.
Where can I buy 4-Hydroxy-3-phenylbutanoic acid?
You can request a quote for 4-Hydroxy-3-phenylbutanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Hydroxy-3-phenylbutanoic acid?
Yes, CoreyChem provides custom synthesis services for 4-Hydroxy-3-phenylbutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.