Calcium phenylpyruvate
TL;DR: Calcium phenylpyruvate (CAS 54865-40-6) is a chemical compound with molecular formula C18H14CaO6 and molecular weight 366.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
calcium bis(2-oxo-3-phenylpropanoate)
Also Known As: Calcium phenylpyruvate, Calciumphenylpyruvate, Phenylpyruvic acid calcium salt, Bis(benzenepyruvato)calcium, calcium;2-oxo-3-phenylpropanoate
| Molecular Formula | C18H14CaO6 |
|---|---|
| Molecular Weight | 366.04 g/mol |
| LogP | -1.2846 |
| Topological Polar Surface Area | 114.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 366.04163 |
| Heavy Atoms | 25 |
| Complexity | 649.36084 |
Chemical Identifiers
| CAS Number | 54865-40-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC(=O)C(=O)[O-].C1=CC=C(C=C1)CC(=O)C(=O)[O-].[Ca+2] |
Product Overview
Calcium phenylpyruvate (CAS 54865-40-6), with molecular formula C18H14CaO6 and molecular weight 366.04 g/mol. IUPAC: calcium bis(2-oxo-3-phenylpropanoate).
Chemical Property Profile of Calcium phenylpyruvate
Property Insights of Calcium phenylpyruvate
The XLogP value of -1.2846 indicates that Calcium phenylpyruvate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 114.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Calcium phenylpyruvate. Following Lipinski's Rule of Five, Calcium phenylpyruvate has 0 hydrogen bond donor(s) and 6 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 Calcium phenylpyruvate?
The CAS number of Calcium phenylpyruvate is 54865-40-6.
What is the molecular formula of Calcium phenylpyruvate?
The molecular formula of Calcium phenylpyruvate is C18H14CaO6.
What is the molecular weight of Calcium phenylpyruvate?
The molecular weight of Calcium phenylpyruvate is 366.04 g/mol.
Where can I buy Calcium phenylpyruvate?
You can request a quote for Calcium phenylpyruvate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Calcium phenylpyruvate?
Yes, KEHONG BIO provides custom synthesis services for Calcium phenylpyruvate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.