Pentetate Calcium Trisodium
TL;DR: Pentetate Calcium Trisodium (CAS 12111-24-9) is a chemical compound with molecular formula C14H18CaN3Na3O10 and molecular weight 497.03113 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
calcium;trisodium;2-[bis[2-[bis(carboxylatomethyl)amino]ethyl]amino]acetate
Also Known As: Pentetate calcium trisodium, Ditripental, Pentacine, Calcium trisodium pentetate, Ditripentat
Application Areas
Top 5 of 9 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C14H18CaN3Na3O10 |
| Molecular Weight | 497.03113 g/mol |
| XLogP | -18.73 |
| Topological Polar Surface Area (TPSA) | 210.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 11 |
| Exact Mass | 497.03113 Da |
| Heavy Atoms | 31 |
| Complexity | 454.0 |
| SMILES | C(CN(CC(=O)[O-])CC(=O)[O-])N(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+].[Ca+2] |
| InChIKey | AYFCVLSUPGCQKD-UHFFFAOYSA-I |
Product Description
Applications: Pentetate Calcium Trisodium is used in pharmaceutical synthesis routes and API production, as well as peptide synthesis and amino acid derivative chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Pentetate Calcium Trisodium (CAS 12111-24-9) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A pharmaceutical intermediate supplied by CoreyChem, Pentetate Calcium Trisodium (CAS 12111-24-9) has the molecular formula C14H18CaN3Na3O10 and a molecular weight of 497.03 g/mol. It is also known as Pentetate calcium trisodium and Ditripental.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Pentetate Calcium Trisodium
Property Insights of Pentetate Calcium Trisodium
The XLogP value of -18.73 indicates that Pentetate Calcium Trisodium is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 210.0 Ų indicates high polarity, suggesting Pentetate Calcium Trisodium may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pentetate Calcium Trisodium has 0 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Pentetate Calcium Trisodium?
The CAS number of Pentetate Calcium Trisodium is 12111-24-9.
What is the molecular formula of Pentetate Calcium Trisodium?
The molecular formula of Pentetate Calcium Trisodium is C14H18CaN3Na3O10.
What is the molecular weight of Pentetate Calcium Trisodium?
The molecular weight of Pentetate Calcium Trisodium is 497.03113 g/mol.
What are the applications of Pentetate Calcium Trisodium?
Pentetate Calcium Trisodium is used in pharmaceutical synthesis routes and API production, as well as peptide synthesis and amino acid derivative chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Pentetate Calcium Trisodium (CAS 12111-24-9)...
Where can I buy Pentetate Calcium Trisodium?
You can request a quote for Pentetate Calcium Trisodium directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Pentetate Calcium Trisodium?
Yes, CoreyChem provides custom synthesis services for Pentetate Calcium Trisodium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.