Aluminum PCA
TL;DR: Aluminum PCA (CAS 59792-81-3) is a chemical compound with molecular formula C15H18AlN3O9 and molecular weight 411.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
aluminum tris(5-oxopyrrolidine-2-carboxylate)
Also Known As: Aluminum PCA, aluminum pidolate, aluminum 5-oxopyrrolidine-2-carboxylate
| Molecular Formula | C15H18AlN3O9 |
|---|---|
| Molecular Weight | 411.09 g/mol |
| LogP | -6.34 |
| Topological Polar Surface Area | 208.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 0 |
| Exact Mass | 411.08585 |
| Heavy Atoms | 28 |
| Complexity | 149.0 |
Chemical Identifiers
| CAS Number | 59792-81-3 |
|---|---|
| SMILES | C1CC(=O)NC1C(=O)[O-].C1CC(=O)NC1C(=O)[O-].C1CC(=O)NC1C(=O)[O-].[Al+3] |
| InChIKey | OYGSFRHDRNJHBP-UHFFFAOYSA-K |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Aluminum PCA (CAS 59792-81-3), with molecular formula C15H18AlN3O9 and molecular weight 411.09 g/mol. IUPAC: aluminum tris(5-oxopyrrolidine-2-carboxylate).
Chemical Property Profile of Aluminum PCA
Property Insights of Aluminum PCA
The XLogP value of -6.34 indicates that Aluminum PCA is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 208.0 Ų indicates high polarity, suggesting Aluminum PCA may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Aluminum PCA has 3 hydrogen bond donor(s) and 9 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 Aluminum PCA?
The CAS number of Aluminum PCA is 59792-81-3.
What is the molecular formula of Aluminum PCA?
The molecular formula of Aluminum PCA is C15H18AlN3O9.
What is the molecular weight of Aluminum PCA?
The molecular weight of Aluminum PCA is 411.09 g/mol.
Where can I buy Aluminum PCA?
You can request a quote for Aluminum PCA directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aluminum PCA?
Yes, KEHONG BIO provides custom synthesis services for Aluminum PCA and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.