Phenylmandelic acid
TL;DR: Phenylmandelic acid (CAS 450-52-2) is a chemical compound with molecular formula C14H12O3 and molecular weight 228.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-2-(4-phenylphenyl)acetic acid
Also Known As: Phenylmandelic acid, 4-Phenylmandelic acid, p-Phenylmandelic acid, Phenol-mandelic acid, 2-hydroxy-2-(4-phenylphenyl)acetic acid
| Molecular Formula | C14H12O3 |
|---|---|
| Molecular Weight | 228.08 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 228.07864 |
| Heavy Atoms | 17 |
| Complexity | 250.0 |
Chemical Identifiers
| CAS Number | 450-52-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CC=C(C=C2)C(C(=O)O)O |
| InChIKey | JLZDBGVLWCMKMH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenylmandelic acid (CAS 450-52-2), with molecular formula C14H12O3 and molecular weight 228.08 g/mol. IUPAC: 2-hydroxy-2-(4-phenylphenyl)acetic acid.
Chemical Property Profile of Phenylmandelic acid
Property Insights of Phenylmandelic acid
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenylmandelic acid. With a topological polar surface area (TPSA) of 57.5 Ų, Phenylmandelic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenylmandelic 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 Phenylmandelic acid?
The CAS number of Phenylmandelic acid is 450-52-2.
What is the molecular formula of Phenylmandelic acid?
The molecular formula of Phenylmandelic acid is C14H12O3.
What is the molecular weight of Phenylmandelic acid?
The molecular weight of Phenylmandelic acid is 228.08 g/mol.
Where can I buy Phenylmandelic acid?
You can request a quote for Phenylmandelic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenylmandelic acid?
Yes, KEHONG BIO provides custom synthesis services for Phenylmandelic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.