Gadoversetamide
TL;DR: Gadoversetamide (CAS 131069-91-5) is a chemical compound with molecular formula C20H34GdN5O10 and molecular weight 662.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[bis[2-[carboxylatomethyl-[2-(2-methoxyethylamino)-2-oxoethyl]amino]ethyl]amino]acetate;gadolinium(3+)
Also Known As: GADOVERSETAMIDE, Optimark, Gadoversetamida, Gadoversetamidum, Optimark (TN)
| Molecular Formula | C20H34GdN5O10 |
|---|---|
| Molecular Weight | 662.15 g/mol |
| LogP | -7.3327 |
| Topological Polar Surface Area | 207.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 19 |
| Exact Mass | 662.15466 |
| Heavy Atoms | 36 |
| Complexity | 614.0 |
Chemical Identifiers
| CAS Number | 131069-91-5 |
|---|---|
| SMILES | COCCNC(=O)CN(CCN(CCN(CC(=O)NCCOC)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Gd+3] |
| InChIKey | HBEAOBRDTOXWRZ-UHFFFAOYSA-K |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Gadoversetamide (CAS 131069-91-5), with molecular formula C20H34GdN5O10 and molecular weight 662.15 g/mol. IUPAC: 2-[bis[2-[carboxylatomethyl-[2-(2-methoxyethylamino)-2-oxoethyl]amino]ethyl]amino]acetate;gadolinium(3+).
Chemical Property Profile of Gadoversetamide
Property Insights of Gadoversetamide
The XLogP value of -7.3327 indicates that Gadoversetamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 207.0 Ų indicates high polarity, suggesting Gadoversetamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Gadoversetamide has 2 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Gadoversetamide?
The CAS number of Gadoversetamide is 131069-91-5.
What is the molecular formula of Gadoversetamide?
The molecular formula of Gadoversetamide is C20H34GdN5O10.
What is the molecular weight of Gadoversetamide?
The molecular weight of Gadoversetamide is 662.15 g/mol.
Where can I buy Gadoversetamide?
You can request a quote for Gadoversetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Gadoversetamide?
Yes, KEHONG BIO provides custom synthesis services for Gadoversetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.