Calcium nicotinate
TL;DR: Calcium nicotinate (CAS 823-77-8) is a chemical compound with molecular formula C12H8CaN2O4 and molecular weight 284.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
calcium bis(pyridine-3-carboxylate)
Also Known As: calcium nicotinate, Calcium dinicotinate, calciumdinicotinate, Nicotinic acid, calcium salt, calcium;pyridine-3-carboxylate
| Molecular Formula | C12H8CaN2O4 |
|---|---|
| Molecular Weight | 284.01 g/mol |
| LogP | -1.49 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 284.011 |
| Heavy Atoms | 19 |
| Complexity | 108.0 |
Chemical Identifiers
| CAS Number | 823-77-8 |
|---|---|
| SMILES | C1=CC(=CN=C1)C(=O)[O-].C1=CC(=CN=C1)C(=O)[O-].[Ca+2] |
| InChIKey | CFKVDGBWWNMDKZ-UHFFFAOYSA-L |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Calcium nicotinate (CAS 823-77-8), with molecular formula C12H8CaN2O4 and molecular weight 284.01 g/mol. IUPAC: calcium bis(pyridine-3-carboxylate).
Chemical Property Profile of Calcium nicotinate
Property Insights of Calcium nicotinate
The XLogP value of -1.49 indicates that Calcium nicotinate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Calcium nicotinate. Following Lipinski's Rule of Five, Calcium nicotinate 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 nicotinate?
The CAS number of Calcium nicotinate is 823-77-8.
What is the molecular formula of Calcium nicotinate?
The molecular formula of Calcium nicotinate is C12H8CaN2O4.
What is the molecular weight of Calcium nicotinate?
The molecular weight of Calcium nicotinate is 284.01 g/mol.
Where can I buy Calcium nicotinate?
You can request a quote for Calcium nicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Calcium nicotinate?
Yes, KEHONG BIO provides custom synthesis services for Calcium nicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.