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 346.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C14H26N4O6 |
|---|---|
| Molecular Weight | 346.19 g/mol |
| LogP | -8.4 |
| Topological Polar Surface Area | 134.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 346.18524 |
| Heavy Atoms | 24 |
| Complexity | 403.0 |
Chemical Identifiers
| CAS Number | 114873-37-9 |
|---|---|
| SMILES | C1CN(CCN(CCN(CCN1)CC(=O)O)CC(=O)O)CC(=O)O |
| InChIKey | HHLZCENAOIROSL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4,7-Tris(carboxymethyl)-1,4,7,10-tetraazacyclododecane (CAS 114873-37-9), with molecular formula C14H26N4O6 and molecular weight 346.19 g/mol. IUPAC: 2-[4,7-bis(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid.
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
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 346.19 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 KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4,7-Tris(carboxymethyl)-1,4,7,10-tetraazacyclododecane?
Yes, KEHONG BIO 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.