Gadoteridol
TL;DR: Gadoteridol (CAS 120066-54-8) is a chemical compound with molecular formula C17H29GdN4O7 and molecular weight 559.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C17H29GdN4O7 |
|---|---|
| Molecular Weight | 559.13 g/mol |
| LogP | -6.16 |
| Topological Polar Surface Area | 154.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 5 |
| Exact Mass | 559.12775 |
| 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 |
Chemical Identifiers
| CAS Number | 120066-54-8 |
|---|---|
| SMILES | CC(CN1CCN(CCN(CCN(CC1)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])O.[Gd+3] |
| InChIKey | DPNNNPAKRZOSMO-UHFFFAOYSA-K |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Gadoteridol (CAS 120066-54-8), with molecular formula C17H29GdN4O7 and molecular weight 559.13 g/mol. IUPAC: 2-[4,7-bis(carboxylatomethyl)-10-(2-hydroxypropyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate;gadolinium(3+).
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
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 559.13 g/mol.
Where can I buy Gadoteridol?
You can request a quote for Gadoteridol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Gadoteridol?
Yes, KEHONG BIO provides custom synthesis services for Gadoteridol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.