Samarium edetate
TL;DR: Samarium edetate (CAS 12611-57-3) is a chemical compound with molecular formula C10H13N2O8Sm and molecular weight 440.98694 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxylatomethyl)amino]acetate;hydron;samarium(3+)
Also Known As: Samarium edetate, 2-[2-[bis(2-oxido-2-oxoethyl)amino]ethyl-(2-oxido-2-oxoethyl)amino]acetate; hydron; samarium(3+), Samarate(1-), ((N,N'-1,2-ethanediylbis(N-((carboxy-kappaO)methyl)glycinato-kappaN,kappaO))(4-))-, hydrogen, (OC-6-21)-, Samarate(1-), [[N,N'-1,2-ethanediylbis[N-(carboxymethyl)glycinato]](4-)-N,N',O,O',ON,ON']-, hydrogen, (OC-6-21)-
Technical Specifications
| Molecular Formula | C10H13N2O8Sm |
| Molecular Weight | 440.98694 g/mol |
| XLogP | -7.3 |
| Topological Polar Surface Area (TPSA) | 167.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 440.98694 Da |
| Heavy Atoms | 21 |
| Complexity | 293.0 |
| SMILES | [H+].C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[Sm+3] |
| InChIKey | CPFWKQAYWFSNFQ-UHFFFAOYSA-K |
Chemical Property Profile of Samarium edetate
Property Insights of Samarium edetate
The XLogP value of -7.3 indicates that Samarium 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 Samarium edetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Samarium edetate has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Samarium edetate?
The CAS number of Samarium edetate is 12611-57-3.
What is the molecular formula of Samarium edetate?
The molecular formula of Samarium edetate is C10H13N2O8Sm.
What is the molecular weight of Samarium edetate?
The molecular weight of Samarium edetate is 440.98694 g/mol.
Where can I buy Samarium edetate?
You can request a quote for Samarium edetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Samarium edetate?
Yes, CoreyChem provides custom synthesis services for Samarium edetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.