Gadolinium 1,4,8,11-tetraazacyclotetradecane-N,N',N'',N'''-tetraacetic acid
TL;DR: Gadolinium 1,4,8,11-tetraazacyclotetradecane-N,N',N'',N'''-tetraacetic acid (CAS 117652-04-7) is a chemical compound with molecular formula C18H28GdN4O8- and molecular weight 586.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
gadolinium(3+);2-[4,8,11-tris(carboxylatomethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]acetate
Also Known As: Gd-Teta, Gadolinium 1,4,8,11-tetraazacyclotetradecane-N,N',N'',N'''-tetraacetic acid, Aqua(1,4,8,11-tetraazacyclotetradecane-N,N',N',N''',N''''-tetraacetato)gadolinate(1-), Gadolinate(1-), (1,4,8,11-tetraazacyclotetradecane-1,4,8,11-tetraacetato(4-)-N1,N4,N8,N11,O1,O4,O8,O11)-, gadolinium(3+),2-[4,8,11-tris(carboxylatomethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]acetate
| Molecular Formula | C18H28GdN4O8- |
|---|---|
| Molecular Weight | 586.11 g/mol |
| LogP | -7.0122 |
| Topological Polar Surface Area | 173.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 4 |
| Exact Mass | 586.1148 |
| Heavy Atoms | 31 |
| Complexity | 468.0 |
Chemical Identifiers
| CAS Number | 117652-04-7 |
|---|---|
| SMILES | C1CN(CCN(CCCN(CCN(C1)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Gd+3] |
| InChIKey | CMKXNCQTSFYBFZ-UHFFFAOYSA-J |
Product Overview
Gadolinium 1,4,8,11-tetraazacyclotetradecane-N,N',N'',N'''-tetraacetic acid (CAS 117652-04-7), with molecular formula C18H28GdN4O8- and molecular weight 586.11 g/mol. IUPAC: gadolinium(3+);2-[4,8,11-tris(carboxylatomethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]acetate.
Chemical Property Profile of Gadolinium 1,4,8,11-tetraazacyclotetradecane-N,N',N'',N'''-tetraacetic acid
Property Insights of Gadolinium 1,4,8,11-tetraazacyclotetradecane-N,N',N'',N'''-tetraacetic acid
The XLogP value of -7.0122 indicates that Gadolinium 1,4,8,11-tetraazacyclotetradecane-N,N',N'',N'''-tetraacetic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 173.0 Ų indicates high polarity, suggesting Gadolinium 1,4,8,11-tetraazacyclotetradecane-N,N',N'',N'''-tetraacetic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Gadolinium 1,4,8,11-tetraazacyclotetradecane-N,N',N'',N'''-tetraacetic acid has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Gadolinium 1,4,8,11-tetraazacyclotetradecane-N,N',N'',N'''-tetraacetic acid?
The CAS number of Gadolinium 1,4,8,11-tetraazacyclotetradecane-N,N',N'',N'''-tetraacetic acid is 117652-04-7.
What is the molecular formula of Gadolinium 1,4,8,11-tetraazacyclotetradecane-N,N',N'',N'''-tetraacetic acid?
The molecular formula of Gadolinium 1,4,8,11-tetraazacyclotetradecane-N,N',N'',N'''-tetraacetic acid is C18H28GdN4O8-.
What is the molecular weight of Gadolinium 1,4,8,11-tetraazacyclotetradecane-N,N',N'',N'''-tetraacetic acid?
The molecular weight of Gadolinium 1,4,8,11-tetraazacyclotetradecane-N,N',N'',N'''-tetraacetic acid is 586.11 g/mol.
Where can I buy Gadolinium 1,4,8,11-tetraazacyclotetradecane-N,N',N'',N'''-tetraacetic acid?
You can request a quote for Gadolinium 1,4,8,11-tetraazacyclotetradecane-N,N',N'',N'''-tetraacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Gadolinium 1,4,8,11-tetraazacyclotetradecane-N,N',N'',N'''-tetraacetic acid?
Yes, KEHONG BIO provides custom synthesis services for Gadolinium 1,4,8,11-tetraazacyclotetradecane-N,N',N'',N'''-tetraacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.