Gadoxetate Disodium
TL;DR: Gadoxetate Disodium (CAS 135326-22-6) is a chemical compound with molecular formula C23H28GdN3Na2O11 and molecular weight 726.07605 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
disodium;2-[[2-[bis(carboxylatomethyl)amino]-3-(4-ethoxyphenyl)propyl]-[2-[bis(carboxylatomethyl)amino]ethyl]amino]acetate;gadolinium(3+)
Also Known As: Gadoxetate Disodium, Primovist, Eovist, Eovist injection, Primovist/Eovist
Technical Specifications
| Molecular Formula | C23H28GdN3Na2O11 |
| Molecular Weight | 726.07605 g/mol |
| XLogP | -13.3401 |
| Topological Polar Surface Area (TPSA) | 220.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 15 |
| Exact Mass | 726.07605 Da |
| Heavy Atoms | 40 |
| Complexity | 711.0 |
| SMILES | CCOC1=CC=C(C=C1)CC(CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Gd+3] |
| InChIKey | SLYTULCOCGSBBJ-UHFFFAOYSA-I |
Chemical Property Profile of Gadoxetate Disodium
Property Insights of Gadoxetate Disodium
The XLogP value of -13.3401 indicates that Gadoxetate Disodium is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 220.0 Ų indicates high polarity, suggesting Gadoxetate Disodium may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Gadoxetate Disodium has 0 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Gadoxetate Disodium?
The CAS number of Gadoxetate Disodium is 135326-22-6.
What is the molecular formula of Gadoxetate Disodium?
The molecular formula of Gadoxetate Disodium is C23H28GdN3Na2O11.
What is the molecular weight of Gadoxetate Disodium?
The molecular weight of Gadoxetate Disodium is 726.07605 g/mol.
Where can I buy Gadoxetate Disodium?
You can request a quote for Gadoxetate Disodium directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Gadoxetate Disodium?
Yes, CoreyChem provides custom synthesis services for Gadoxetate Disodium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.