Edetate Monocalcium
TL;DR: Edetate Monocalcium (CAS 12264-18-5) is a chemical compound with molecular formula C10H14CaN2O8 and molecular weight 330.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
calcium 2-[2-[carboxylatomethyl(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetate
Also Known As: Antallin, Chelaton, Edetamin, Sormetal, Tetazine
| Molecular Formula | C10H14CaN2O8 |
|---|---|
| Molecular Weight | 330.04 g/mol |
| LogP | -5.12 |
| Topological Polar Surface Area | 161.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 330.0376 |
| Heavy Atoms | 21 |
| Complexity | 336.0 |
Chemical Identifiers
| CAS Number | 12264-18-5 |
|---|---|
| SMILES | C(CN(CC(=O)O)CC(=O)[O-])N(CC(=O)O)CC(=O)[O-].[Ca+2] |
| InChIKey | NVTRPRFAWJGJAJ-UHFFFAOYSA-L |
Product Overview
Edetate Monocalcium (CAS 12264-18-5), with molecular formula C10H14CaN2O8 and molecular weight 330.04 g/mol. IUPAC: calcium 2-[2-[carboxylatomethyl(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetate.
Chemical Property Profile of Edetate Monocalcium
Property Insights of Edetate Monocalcium
The XLogP value of -5.12 indicates that Edetate Monocalcium is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 161.0 Ų indicates high polarity, suggesting Edetate Monocalcium may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Edetate Monocalcium has 2 hydrogen bond donor(s) and 10 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 Edetate Monocalcium?
The CAS number of Edetate Monocalcium is 12264-18-5.
What is the molecular formula of Edetate Monocalcium?
The molecular formula of Edetate Monocalcium is C10H14CaN2O8.
What is the molecular weight of Edetate Monocalcium?
The molecular weight of Edetate Monocalcium is 330.04 g/mol.
Where can I buy Edetate Monocalcium?
You can request a quote for Edetate Monocalcium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Edetate Monocalcium?
Yes, KEHONG BIO provides custom synthesis services for Edetate Monocalcium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.