Acetrizoic Acid
TL;DR: Acetrizoic Acid (CAS 85-36-9) is a chemical compound with molecular formula C9H6I3NO3 and molecular weight 556.75 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-acetamido-2,4,6-triiodobenzoic acid
Also Known As: Acetrizoic acid, Urokonic acid, Opacaron, Urokon, Acetrizoesaeure
| Molecular Formula | C9H6I3NO3 |
|---|---|
| Molecular Weight | 556.75 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 556.7482 |
| Heavy Atoms | 16 |
| Complexity | 300.0 |
| Boiling Point | 547.1 |
| Solubility | Soluble |
Chemical Identifiers
| CAS Number | 85-36-9 |
|---|---|
| SMILES | CC(=O)NC1=C(C=C(C(=C1I)C(=O)O)I)I |
| InChIKey | GNOGSFBXBWBTIG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Acetrizoic Acid (CAS 85-36-9), with molecular formula C9H6I3NO3 and molecular weight 556.75 g/mol. IUPAC: 3-acetamido-2,4,6-triiodobenzoic acid.
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
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 556.75 g/mol.
Where can I buy Acetrizoic Acid?
You can request a quote for Acetrizoic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetrizoic Acid?
Yes, KEHONG BIO provides custom synthesis services for Acetrizoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.