Barium citrate
TL;DR: Barium citrate (CAS 6487-29-2) is a chemical compound with molecular formula C12H10Ba3O14 and molecular weight 791.72 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tris(barium(2+));bis(2-hydroxypropane-1,2,3-tricarboxylate)
Also Known As: BARIUM CITRATE, Tribarium dicitrate, Tribarium citrate, tribarium(2+) dicitrate, barium citrate monohydrate
| Molecular Formula | C12H10Ba3O14 |
|---|---|
| Molecular Weight | 791.72 g/mol |
| LogP | -11.6476 |
| Topological Polar Surface Area | 281.24 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 10 |
| Exact Mass | 791.7228 |
| Heavy Atoms | 29 |
| Complexity | 520.6498 |
Chemical Identifiers
| CAS Number | 6487-29-2 |
|---|---|
| SMILES | C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[Ba+2].[Ba+2].[Ba+2] |
Product Overview
Barium citrate (CAS 6487-29-2), with molecular formula C12H10Ba3O14 and molecular weight 791.72 g/mol. IUPAC: tris(barium(2+));bis(2-hydroxypropane-1,2,3-tricarboxylate).
Chemical Property Profile of Barium citrate
Property Insights of Barium citrate
The XLogP value of -11.6476 indicates that Barium citrate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 281.24 Ų indicates high polarity, suggesting Barium citrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Barium citrate has 2 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Barium citrate?
The CAS number of Barium citrate is 6487-29-2.
What is the molecular formula of Barium citrate?
The molecular formula of Barium citrate is C12H10Ba3O14.
What is the molecular weight of Barium citrate?
The molecular weight of Barium citrate is 791.72 g/mol.
Where can I buy Barium citrate?
You can request a quote for Barium citrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Barium citrate?
Yes, KEHONG BIO provides custom synthesis services for Barium citrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.