DOTAEt
TL;DR: DOTAEt (CAS 137076-50-7) is a chemical compound with molecular formula C24H44N4O8 and molecular weight 516.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[4,7,10-tris(2-ethoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate
Also Known As: DOTAEt, Gadobutrol Impurity 143, 1,4,7,10-TETRAKIS(ETHOXYCARBONYLMETHYL)-1,4,7,10-TETRAAZACYCLODODECANE, ethyl 2-[4,7,10-tris(2-ethoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate, 1,4,7,10-Tetrakis -1,4,7,10-tetraazacyclododecane
| Molecular Formula | C24H44N4O8 |
|---|---|
| Molecular Weight | 516.32 g/mol |
| LogP | -0.5396 |
| Topological Polar Surface Area | 118.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 12 |
| Exact Mass | 516.3159 |
| Heavy Atoms | 36 |
| Complexity | 550.50195 |
Chemical Identifiers
| CAS Number | 137076-50-7 |
|---|---|
| SMILES | CCOC(=O)CN1CCN(CCN(CCN(CC1)CC(=O)OCC)CC(=O)OCC)CC(=O)OCC |
Product Overview
DOTAEt (CAS 137076-50-7), with molecular formula C24H44N4O8 and molecular weight 516.32 g/mol. IUPAC: ethyl 2-[4,7,10-tris(2-ethoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate.
Chemical Property Profile of DOTAEt
Property Insights of DOTAEt
The XLogP value of -0.5396 indicates that DOTAEt is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 118.16 Ų falls within the moderate polarity range, balancing permeability and solubility for DOTAEt. Following Lipinski's Rule of Five, DOTAEt 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 DOTAEt?
The CAS number of DOTAEt is 137076-50-7.
What is the molecular formula of DOTAEt?
The molecular formula of DOTAEt is C24H44N4O8.
What is the molecular weight of DOTAEt?
The molecular weight of DOTAEt is 516.32 g/mol.
Where can I buy DOTAEt?
You can request a quote for DOTAEt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for DOTAEt?
Yes, KEHONG BIO provides custom synthesis services for DOTAEt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.