Calcium orotate
TL;DR: Calcium orotate (CAS 22454-86-0) is a chemical compound with molecular formula C10H6CaN4O8 and molecular weight 349.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
calcium bis(2,4-dioxo-1H-pyrimidine-6-carboxylate)
Also Known As: Calcium orotate, Calora, calcium diorotate, Calciumorotat, Calciumorotat (TN)
| Molecular Formula | C10H6CaN4O8 |
|---|---|
| Molecular Weight | 349.98 g/mol |
| LogP | -5.53 |
| Topological Polar Surface Area | 197.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 0 |
| Exact Mass | 349.98114 |
| Heavy Atoms | 23 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 22454-86-0 |
|---|---|
| SMILES | C1=C(NC(=O)NC1=O)C(=O)[O-].C1=C(NC(=O)NC1=O)C(=O)[O-].[Ca+2] |
| InChIKey | SZKLQJZEAFLPDA-UHFFFAOYSA-L |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Calcium orotate (CAS 22454-86-0), with molecular formula C10H6CaN4O8 and molecular weight 349.98 g/mol. IUPAC: calcium bis(2,4-dioxo-1H-pyrimidine-6-carboxylate).
Chemical Property Profile of Calcium orotate
Property Insights of Calcium orotate
The XLogP value of -5.53 indicates that Calcium orotate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 197.0 Ų indicates high polarity, suggesting Calcium orotate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Calcium orotate has 4 hydrogen bond donor(s) and 8 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 orotate?
The CAS number of Calcium orotate is 22454-86-0.
What is the molecular formula of Calcium orotate?
The molecular formula of Calcium orotate is C10H6CaN4O8.
What is the molecular weight of Calcium orotate?
The molecular weight of Calcium orotate is 349.98 g/mol.
Where can I buy Calcium orotate?
You can request a quote for Calcium orotate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Calcium orotate?
Yes, KEHONG BIO provides custom synthesis services for Calcium orotate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.