1,4,7-Tris(carboxymethyl)-1,4,7,10-tetraazacyclododecane
TL;DR: 1,4,7-Tris(carboxymethyl)-1,4,7,10-tetraazacyclododecane (CAS 114873-37-9) is a chemical compound with molecular formula C14H26N4O6 and molecular weight 346.18524 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[4,7-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
Also Known As: DO3A compound, Gadobutrol Impurity 41, DO3A1Pr, 1,4,7,10-Tetraazacyclododecane-1,4,7-triacetic acid, DO3A
Application Areas
Top 5 of 12 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C14H26N4O6 |
| Molecular Weight | 346.18524 g/mol |
| XLogP | -8.4 |
| Topological Polar Surface Area (TPSA) | 134.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 346.18524 Da |
| Heavy Atoms | 24 |
| Complexity | 403.0 |
| SMILES | C1CN(CCN(CCN(CCN1)CC(=O)O)CC(=O)O)CC(=O)O |
| InChIKey | HHLZCENAOIROSL-UHFFFAOYSA-N |
Chemical Property Profile of 1,4,7-Tris(carboxymethyl)-1,4,7,10-tetraazacyclododecane
Property Insights of 1,4,7-Tris(carboxymethyl)-1,4,7,10-tetraazacyclododecane
The XLogP value of -8.4 indicates that 1,4,7-Tris(carboxymethyl)-1,4,7,10-tetraazacyclododecane is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4,7-Tris(carboxymethyl)-1,4,7,10-tetraazacyclododecane. Following Lipinski's Rule of Five, 1,4,7-Tris(carboxymethyl)-1,4,7,10-tetraazacyclododecane has 4 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1,4,7-Tris(carboxymethyl)-1,4,7,10-tetraazacyclododecane?
The CAS number of 1,4,7-Tris(carboxymethyl)-1,4,7,10-tetraazacyclododecane is 114873-37-9.
What is the molecular formula of 1,4,7-Tris(carboxymethyl)-1,4,7,10-tetraazacyclododecane?
The molecular formula of 1,4,7-Tris(carboxymethyl)-1,4,7,10-tetraazacyclododecane is C14H26N4O6.
What is the molecular weight of 1,4,7-Tris(carboxymethyl)-1,4,7,10-tetraazacyclododecane?
The molecular weight of 1,4,7-Tris(carboxymethyl)-1,4,7,10-tetraazacyclododecane is 346.18524 g/mol.
Where can I buy 1,4,7-Tris(carboxymethyl)-1,4,7,10-tetraazacyclododecane?
You can request a quote for 1,4,7-Tris(carboxymethyl)-1,4,7,10-tetraazacyclododecane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,4,7-Tris(carboxymethyl)-1,4,7,10-tetraazacyclododecane?
Yes, CoreyChem provides custom synthesis services for 1,4,7-Tris(carboxymethyl)-1,4,7,10-tetraazacyclododecane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.