Propyl 2-hydroxy-3-phenylpropanoate
TL;DR: Propyl 2-hydroxy-3-phenylpropanoate (CAS 107223-54-1) is a chemical compound with molecular formula C12H16O3 and molecular weight 208.10994 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
propyl 2-hydroxy-3-phenylpropanoate
Also Known As: propyl 2-hydroxy-3-phenylpropanoate, Benzenepropanoic acid, a-hydroxy-, propyl ester
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H16O3 |
| Molecular Weight | 208.10994 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 208.10994 Da |
| Heavy Atoms | 15 |
| Complexity | 185.0 |
| SMILES | CCCOC(=O)C(CC1=CC=CC=C1)O |
| InChIKey | YNQRQDDRTZMSDQ-UHFFFAOYSA-N |
Chemical Property Profile of Propyl 2-hydroxy-3-phenylpropanoate
Property Insights of Propyl 2-hydroxy-3-phenylpropanoate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propyl 2-hydroxy-3-phenylpropanoate. With a topological polar surface area (TPSA) of 46.5 Ų, Propyl 2-hydroxy-3-phenylpropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propyl 2-hydroxy-3-phenylpropanoate has 1 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 Propyl 2-hydroxy-3-phenylpropanoate?
The CAS number of Propyl 2-hydroxy-3-phenylpropanoate is 107223-54-1.
What is the molecular formula of Propyl 2-hydroxy-3-phenylpropanoate?
The molecular formula of Propyl 2-hydroxy-3-phenylpropanoate is C12H16O3.
What is the molecular weight of Propyl 2-hydroxy-3-phenylpropanoate?
The molecular weight of Propyl 2-hydroxy-3-phenylpropanoate is 208.10994 g/mol.
Where can I buy Propyl 2-hydroxy-3-phenylpropanoate?
You can request a quote for Propyl 2-hydroxy-3-phenylpropanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Propyl 2-hydroxy-3-phenylpropanoate?
Yes, CoreyChem provides custom synthesis services for Propyl 2-hydroxy-3-phenylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.