3-Phenylpyruvate
TL;DR: 3-Phenylpyruvate (CAS 620-76-8) is a chemical compound with molecular formula C9H7O3- and molecular weight 163.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-oxo-3-phenylpropanoate
Also Known As: 2-oxo-3-phenylpropanoate, 3-Phenylpyruvate, phenylpyruvate, keto-phenylpyruvate, benzylglyoxylate
| Molecular Formula | C9H7O3- |
|---|---|
| Molecular Weight | 163.04 g/mol |
| LogP | -0.4519 |
| Topological Polar Surface Area | 57.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 163.03952 |
| Heavy Atoms | 12 |
| Complexity | 289.90176 |
Chemical Identifiers
| CAS Number | 620-76-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC(=O)C(=O)[O-] |
Product Overview
3-Phenylpyruvate (CAS 620-76-8), with molecular formula C9H7O3- and molecular weight 163.04 g/mol. IUPAC: 2-oxo-3-phenylpropanoate.
Chemical Property Profile of 3-Phenylpyruvate
Property Insights of 3-Phenylpyruvate
The XLogP value of -0.4519 indicates that 3-Phenylpyruvate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 57.2 Ų, 3-Phenylpyruvate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Phenylpyruvate has 0 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-Phenylpyruvate?
The CAS number of 3-Phenylpyruvate is 620-76-8.
What is the molecular formula of 3-Phenylpyruvate?
The molecular formula of 3-Phenylpyruvate is C9H7O3-.
What is the molecular weight of 3-Phenylpyruvate?
The molecular weight of 3-Phenylpyruvate is 163.04 g/mol.
Where can I buy 3-Phenylpyruvate?
You can request a quote for 3-Phenylpyruvate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Phenylpyruvate?
Yes, KEHONG BIO provides custom synthesis services for 3-Phenylpyruvate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.