Monoferrous edetate
TL;DR: Monoferrous edetate (CAS 21393-59-9) is a chemical compound with molecular formula C10H14FeN2O8 and molecular weight 346.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;hydron;iron(2+)
Also Known As: Iron-EDTA, ferrous edta, edta iron, Iron(II): EDTA, Iron(II) edta complex
| Molecular Formula | C10H14FeN2O8 |
|---|---|
| Molecular Weight | 346.01 g/mol |
| LogP | -7.19 |
| Topological Polar Surface Area | 167.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 346.00995 |
| Heavy Atoms | 21 |
| Complexity | 293.0 |
Chemical Identifiers
| CAS Number | 21393-59-9 |
|---|---|
| SMILES | [H+].[H+].C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[Fe+2] |
| InChIKey | JVXHQHGWBAHSSF-UHFFFAOYSA-L |
Product Overview
Monoferrous edetate (CAS 21393-59-9), with molecular formula C10H14FeN2O8 and molecular weight 346.01 g/mol. IUPAC: 2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;hydron;iron(2+).
Chemical Property Profile of Monoferrous edetate
Property Insights of Monoferrous edetate
The XLogP value of -7.19 indicates that Monoferrous edetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 167.0 Ų indicates high polarity, suggesting Monoferrous edetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Monoferrous edetate 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 Monoferrous edetate?
The CAS number of Monoferrous edetate is 21393-59-9.
What is the molecular formula of Monoferrous edetate?
The molecular formula of Monoferrous edetate is C10H14FeN2O8.
What is the molecular weight of Monoferrous edetate?
The molecular weight of Monoferrous edetate is 346.01 g/mol.
Where can I buy Monoferrous edetate?
You can request a quote for Monoferrous edetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Monoferrous edetate?
Yes, KEHONG BIO provides custom synthesis services for Monoferrous edetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.