3,3',5-Triiodothyroacetic acid N,N-diethanolamine (1:1) complex
TL;DR: 3,3',5-Triiodothyroacetic acid N,N-diethanolamine (1:1) complex (CAS 115074-55-0) is a chemical compound with molecular formula C18H20I3NO6 and molecular weight 726.8425 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2-hydroxyethylamino)ethanol;2-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]acetic acid
Also Known As: Diethanolamine triiodothyroacetate, 4-Oceog, 4-phenyl-pyridine,picrate, Triiodothyroacetic acid, diethanolamine, KST-1A0705
Technical Specifications
| Molecular Formula | C18H20I3NO6 |
| Molecular Weight | 726.8425 g/mol |
| XLogP | 3.186 |
| Topological Polar Surface Area (TPSA) | 119.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 726.8425 Da |
| Heavy Atoms | 28 |
| Complexity | 385.0 |
| SMILES | C1=CC(=C(C=C1OC2=C(C=C(C=C2I)CC(=O)O)I)I)O.C(CO)NCCO |
| InChIKey | JMFOCJKHMLCYHF-UHFFFAOYSA-N |
Chemical Property Profile of 3,3',5-Triiodothyroacetic acid N,N-diethanolamine (1:1) complex
Property Insights of 3,3',5-Triiodothyroacetic acid N,N-diethanolamine (1:1) complex
The XLogP value of 3.186 indicates that 3,3',5-Triiodothyroacetic acid N,N-diethanolamine (1:1) complex is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,3',5-Triiodothyroacetic acid N,N-diethanolamine (1:1) complex. Following Lipinski's Rule of Five, 3,3',5-Triiodothyroacetic acid N,N-diethanolamine (1:1) complex has 5 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 3,3',5-Triiodothyroacetic acid N,N-diethanolamine (1:1) complex?
The CAS number of 3,3',5-Triiodothyroacetic acid N,N-diethanolamine (1:1) complex is 115074-55-0.
What is the molecular formula of 3,3',5-Triiodothyroacetic acid N,N-diethanolamine (1:1) complex?
The molecular formula of 3,3',5-Triiodothyroacetic acid N,N-diethanolamine (1:1) complex is C18H20I3NO6.
What is the molecular weight of 3,3',5-Triiodothyroacetic acid N,N-diethanolamine (1:1) complex?
The molecular weight of 3,3',5-Triiodothyroacetic acid N,N-diethanolamine (1:1) complex is 726.8425 g/mol.
Where can I buy 3,3',5-Triiodothyroacetic acid N,N-diethanolamine (1:1) complex?
You can request a quote for 3,3',5-Triiodothyroacetic acid N,N-diethanolamine (1:1) complex directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3,3',5-Triiodothyroacetic acid N,N-diethanolamine (1:1) complex?
Yes, CoreyChem provides custom synthesis services for 3,3',5-Triiodothyroacetic acid N,N-diethanolamine (1:1) complex and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.