1,4,7,10-Tetraazacyclododecane-1,4-diacetic acid
TL;DR: 1,4,7,10-Tetraazacyclododecane-1,4-diacetic acid (CAS 229312-34-9) is a chemical compound with molecular formula C12H24N4O4 and molecular weight 288.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
Also Known As: Gadobutrol Impurity 14, Gadobutrol Impurity 52, 1,4,7,10-tetraazacyclododecane-1,4-diacetic acid, J1.483.415J, 2,2'-(1,4,7,10-tetraazacyclododecane-1,4-diyl)diacetic acid
| Molecular Formula | C12H24N4O4 |
|---|---|
| Molecular Weight | 288.18 g/mol |
| LogP | -2.0476 |
| Topological Polar Surface Area | 105.14 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 288.17975 |
| Heavy Atoms | 20 |
| Complexity | 283.83246 |
Chemical Identifiers
| CAS Number | 229312-34-9 |
|---|---|
| SMILES | C1CNCCN(CCN(CCN1)CC(=O)O)CC(=O)O |
Product Overview
1,4,7,10-Tetraazacyclododecane-1,4-diacetic acid (CAS 229312-34-9), with molecular formula C12H24N4O4 and molecular weight 288.18 g/mol. IUPAC: 2-[4-(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid.
Chemical Property Profile of 1,4,7,10-Tetraazacyclododecane-1,4-diacetic acid
Property Insights of 1,4,7,10-Tetraazacyclododecane-1,4-diacetic acid
The XLogP value of -2.0476 indicates that 1,4,7,10-Tetraazacyclododecane-1,4-diacetic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 105.14 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4,7,10-Tetraazacyclododecane-1,4-diacetic acid. Following Lipinski's Rule of Five, 1,4,7,10-Tetraazacyclododecane-1,4-diacetic acid has 4 hydrogen bond donor(s) and 6 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 1,4,7,10-Tetraazacyclododecane-1,4-diacetic acid?
The CAS number of 1,4,7,10-Tetraazacyclododecane-1,4-diacetic acid is 229312-34-9.
What is the molecular formula of 1,4,7,10-Tetraazacyclododecane-1,4-diacetic acid?
The molecular formula of 1,4,7,10-Tetraazacyclododecane-1,4-diacetic acid is C12H24N4O4.
What is the molecular weight of 1,4,7,10-Tetraazacyclododecane-1,4-diacetic acid?
The molecular weight of 1,4,7,10-Tetraazacyclododecane-1,4-diacetic acid is 288.18 g/mol.
Where can I buy 1,4,7,10-Tetraazacyclododecane-1,4-diacetic acid?
You can request a quote for 1,4,7,10-Tetraazacyclododecane-1,4-diacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4,7,10-Tetraazacyclododecane-1,4-diacetic acid?
Yes, KEHONG BIO provides custom synthesis services for 1,4,7,10-Tetraazacyclododecane-1,4-diacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.