3-Hydroxy-3-phenylpropanoic acid
TL;DR: 3-Hydroxy-3-phenylpropanoic acid (CAS 3480-87-3) is a chemical compound with molecular formula C9H10O3 and molecular weight 166.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxy-3-phenylpropanoic acid
Also Known As: 3-Hydroxy-3-phenylpropanoic acid, 3-Hydroxy-3-phenylpropionic acid, 3-hydroxy-3-phenyl-propionic acid, beta-Hydroxyphenylpropionic acid, beta-Phenylhydracrylic acid
| Molecular Formula | C9H10O3 |
|---|---|
| Molecular Weight | 166.06 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 166.06299 |
| Heavy Atoms | 12 |
| Complexity | 150.0 |
Chemical Identifiers
| CAS Number | 3480-87-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(CC(=O)O)O |
| InChIKey | AYOLELPCNDVZKZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Hydroxy-3-phenylpropanoic acid (CAS 3480-87-3), with molecular formula C9H10O3 and molecular weight 166.06 g/mol. IUPAC: 3-hydroxy-3-phenylpropanoic acid.
Chemical Property Profile of 3-Hydroxy-3-phenylpropanoic acid
Property Insights of 3-Hydroxy-3-phenylpropanoic acid
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Hydroxy-3-phenylpropanoic acid. With a topological polar surface area (TPSA) of 57.5 Ų, 3-Hydroxy-3-phenylpropanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Hydroxy-3-phenylpropanoic 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
Frequently Asked Questions
What is the CAS number of 3-Hydroxy-3-phenylpropanoic acid?
The CAS number of 3-Hydroxy-3-phenylpropanoic acid is 3480-87-3.
What is the molecular formula of 3-Hydroxy-3-phenylpropanoic acid?
The molecular formula of 3-Hydroxy-3-phenylpropanoic acid is C9H10O3.
What is the molecular weight of 3-Hydroxy-3-phenylpropanoic acid?
The molecular weight of 3-Hydroxy-3-phenylpropanoic acid is 166.06 g/mol.
Where can I buy 3-Hydroxy-3-phenylpropanoic acid?
You can request a quote for 3-Hydroxy-3-phenylpropanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hydroxy-3-phenylpropanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxy-3-phenylpropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.