Gadoteridol
TL;DR: Gadoteridol (CAS 120066-54-8) is a chemical compound with molecular formula C17H29GdN4O7 and molecular weight 559.12775 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[4,7-bis(carboxylatomethyl)-10-(2-hydroxypropyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate;gadolinium(3+)
Also Known As: GADOTERIDOL, ProHance, Gadoteridolum, Prohance Multipack, Gadolinium-HP-DO3A
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C17H29GdN4O7 |
| Molecular Weight | 559.12775 g/mol |
| XLogP | -6.16 |
| Topological Polar Surface Area (TPSA) | 154.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 5 |
| Exact Mass | 559.12775 Da |
| Heavy Atoms | 29 |
| Complexity | 471.0 |
| Melting Point | >225 °C |
| Density | Osmolality (37 °C): 630 mOsM/kg water; viscosity (cP): 2.0 (20 °C), 1.3 (37 °C); density at 25 °C 1.140. /Gadoteridol injection/ |
| Solubility | In water, 737 mg/mL |
| SMILES | CC(CN1CCN(CCN(CCN(CC1)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])O.[Gd+3] |
| InChIKey | DPNNNPAKRZOSMO-UHFFFAOYSA-K |
Chemical Property Profile of Gadoteridol
Property Insights of Gadoteridol
The XLogP value of -6.16 indicates that Gadoteridol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 154.0 Ų indicates high polarity, suggesting Gadoteridol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Gadoteridol has 1 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Gadoteridol?
The CAS number of Gadoteridol is 120066-54-8.
What is the molecular formula of Gadoteridol?
The molecular formula of Gadoteridol is C17H29GdN4O7.
What is the molecular weight of Gadoteridol?
The molecular weight of Gadoteridol is 559.12775 g/mol.
Where can I buy Gadoteridol?
You can request a quote for Gadoteridol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Gadoteridol?
Yes, CoreyChem provides custom synthesis services for Gadoteridol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.