Omniscan
TL;DR: Omniscan (CAS 122795-43-1) is a chemical compound with molecular formula C16H28GdN5O9 and molecular weight 592.1128 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[bis[2-[carboxylatomethyl-[2-(methylamino)-2-oxoethyl]amino]ethyl]amino]acetate;gadolinium(3+);hydrate
Also Known As: gadodiamide, Gadodiamide hydrate, Omniscan, Deriglidole, Gadodiamida
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C16H28GdN5O9 |
| Molecular Weight | 592.1128 g/mol |
| XLogP | -8.19 |
| Topological Polar Surface Area (TPSA) | 189.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 13 |
| Exact Mass | 592.1128 Da |
| Heavy Atoms | 31 |
| Complexity | 527.0 |
| SMILES | CNC(=O)CN(CCN(CCN(CC(=O)NC)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].O.[Gd+3] |
| InChIKey | XPCLDSMKWNNKOM-UHFFFAOYSA-K |
Chemical Property Profile of Omniscan
Property Insights of Omniscan
The XLogP value of -8.19 indicates that Omniscan is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 189.0 Ų indicates high polarity, suggesting Omniscan may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Omniscan has 3 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Omniscan?
The CAS number of Omniscan is 122795-43-1.
What is the molecular formula of Omniscan?
The molecular formula of Omniscan is C16H28GdN5O9.
What is the molecular weight of Omniscan?
The molecular weight of Omniscan is 592.1128 g/mol.
Where can I buy Omniscan?
You can request a quote for Omniscan directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Omniscan?
Yes, CoreyChem provides custom synthesis services for Omniscan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.