Edetate calcium disodium monohydrate
TL;DR: Edetate calcium disodium monohydrate (CAS 39208-14-5) is a chemical compound with molecular formula C10H14CaN2Na2O9 and molecular weight 392.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
calcium;disodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;hydrate
Also Known As: Edetate calcium disodium monohydrate, Natrii calcii edetas, Edetate calcium disodium, Calcioedetato de sodio, Sodium calcium edetate
| Molecular Formula | C10H14CaN2Na2O9 |
|---|---|
| Molecular Weight | 392.01 g/mol |
| LogP | -14.6075 |
| Topological Polar Surface Area | 198.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 11 |
| Exact Mass | 392.01205 |
| Heavy Atoms | 24 |
| Complexity | 332.5251 |
Chemical Identifiers
| CAS Number | 39208-14-5 |
|---|---|
| SMILES | C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].O.[Na+].[Na+].[Ca+2] |
Product Overview
Edetate calcium disodium monohydrate (CAS 39208-14-5), with molecular formula C10H14CaN2Na2O9 and molecular weight 392.01 g/mol. IUPAC: calcium;disodium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;hydrate.
Chemical Property Profile of Edetate calcium disodium monohydrate
Property Insights of Edetate calcium disodium monohydrate
The XLogP value of -14.6075 indicates that Edetate calcium disodium monohydrate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 198.5 Ų indicates high polarity, suggesting Edetate calcium disodium monohydrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Edetate calcium disodium monohydrate has 0 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 calcium disodium monohydrate?
The CAS number of Edetate calcium disodium monohydrate is 39208-14-5.
What is the molecular formula of Edetate calcium disodium monohydrate?
The molecular formula of Edetate calcium disodium monohydrate is C10H14CaN2Na2O9.
What is the molecular weight of Edetate calcium disodium monohydrate?
The molecular weight of Edetate calcium disodium monohydrate is 392.01 g/mol.
Where can I buy Edetate calcium disodium monohydrate?
You can request a quote for Edetate calcium disodium monohydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Edetate calcium disodium monohydrate?
Yes, KEHONG BIO provides custom synthesis services for Edetate calcium disodium monohydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.