Gadopenamide
TL;DR: Gadopenamide (CAS 117827-80-2) is a chemical compound with molecular formula C22H34GdN5O10 and molecular weight 686.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[bis[2-[carboxylatomethyl-(2-morpholin-4-yl-2-oxoethyl)amino]ethyl]amino]acetate;gadolinium(3+)
Also Known As: Gadopenamide, Gadopenamidum, Gadopenamida, Gadopenamide [INN], Gadopenamidum [INN-Latin]
| Molecular Formula | C22H34GdN5O10 |
|---|---|
| Molecular Weight | 686.15 g/mol |
| LogP | -7.1403 |
| Topological Polar Surface Area | 189.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 16 |
| Exact Mass | 686.15466 |
| Heavy Atoms | 38 |
| Complexity | 736.4848 |
Chemical Identifiers
| CAS Number | 117827-80-2 |
|---|---|
| SMILES | C1COCCN1C(=O)CN(CCN(CCN(CC(=O)N2CCOCC2)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Gd+3] |
Product Overview
Gadopenamide (CAS 117827-80-2), with molecular formula C22H34GdN5O10 and molecular weight 686.15 g/mol. IUPAC: 2-[bis[2-[carboxylatomethyl-(2-morpholin-4-yl-2-oxoethyl)amino]ethyl]amino]acetate;gadolinium(3+).
Chemical Property Profile of Gadopenamide
Property Insights of Gadopenamide
The XLogP value of -7.1403 indicates that Gadopenamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 189.19 Ų indicates high polarity, suggesting Gadopenamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Gadopenamide has 0 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 Gadopenamide?
The CAS number of Gadopenamide is 117827-80-2.
What is the molecular formula of Gadopenamide?
The molecular formula of Gadopenamide is C22H34GdN5O10.
What is the molecular weight of Gadopenamide?
The molecular weight of Gadopenamide is 686.15 g/mol.
Where can I buy Gadopenamide?
You can request a quote for Gadopenamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Gadopenamide?
Yes, KEHONG BIO provides custom synthesis services for Gadopenamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.