Acetrizoic Acid
TL;DR: Acetrizoic Acid (CAS 85-36-9) is a chemical compound with molecular formula C9H6I3NO3 and molecular weight 556.7482 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
乙酰三碘苯甲酸
3-acetamido-2,4,6-triiodobenzoic acid
Also Known As: Acetrizoic acid, Urokonic acid, Opacaron, Urokon, Acetrizoesaeure
Application Areas
Top 5 of 9 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H6I3NO3 |
| Molecular Weight | 556.7482 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 556.7482 Da |
| Heavy Atoms | 16 |
| Complexity | 300.0 |
| Boiling Point | 547.1 |
| Solubility | Soluble |
| SMILES | CC(=O)NC1=C(C=C(C(=C1I)C(=O)O)I)I |
| InChIKey | GNOGSFBXBWBTIG-UHFFFAOYSA-N |
Product Description
Applications: Acetrizoic Acid is used in pharmaceutical synthesis routes and API production, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A pharmaceutical intermediate supplied by CoreyChem, Acetrizoic Acid (CAS 85-36-9) has the molecular formula C9H6I3NO3 and a molecular weight of 556.75 g/mol. Reported properties include a solubility: Soluble. Synonyms include Acetrizoic acid and Urokonic acid.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Acetrizoic Acid
Property Insights of Acetrizoic Acid
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetrizoic Acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetrizoic Acid. Following Lipinski's Rule of Five, Acetrizoic Acid has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Acetrizoic Acid?
The CAS number of Acetrizoic Acid is 85-36-9.
What is the molecular formula of Acetrizoic Acid?
The molecular formula of Acetrizoic Acid is C9H6I3NO3.
What is the molecular weight of Acetrizoic Acid?
The molecular weight of Acetrizoic Acid is 556.7482 g/mol.
What are the applications of Acetrizoic Acid?
Acetrizoic Acid is used in pharmaceutical synthesis routes and API production, as well as complex organic molecule assembly across discovery and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy Acetrizoic Acid?
You can request a quote for Acetrizoic Acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Acetrizoic Acid?
Yes, CoreyChem provides custom synthesis services for Acetrizoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.