Iothalamic Acid
TL;DR: Iothalamic Acid (CAS 2276-90-6) is a chemical compound with molecular formula C11H9I3N2O4 and molecular weight 613.7696 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
碘他拉酸
3-acetamido-2,4,6-triiodo-5-(methylcarbamoyl)benzoic acid
Also Known As: iotalamic acid, IOTHALAMIC ACID, Acido iotalamico, Iothalamate, Acide iotalamique
Application Areas
Top 5 of 14 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H9I3N2O4 |
| Molecular Weight | 613.7696 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 95.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 613.7696 Da |
| Heavy Atoms | 20 |
| Complexity | 420.0 |
| SMILES | CC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)C(=O)NC)I |
| InChIKey | UXIGWFXRQKWHHA-UHFFFAOYSA-N |
Product Description
Applications: Iothalamic 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, Iothalamic Acid (CAS 2276-90-6) has the molecular formula C11H9I3N2O4 and a molecular weight of 613.77 g/mol. Synonyms include iotalamic acid and IOTHALAMIC 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 Iothalamic Acid
Property Insights of Iothalamic Acid
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Iothalamic Acid. The TPSA of 95.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Iothalamic Acid. Following Lipinski's Rule of Five, Iothalamic Acid has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Iothalamic Acid?
The CAS number of Iothalamic Acid is 2276-90-6.
What is the molecular formula of Iothalamic Acid?
The molecular formula of Iothalamic Acid is C11H9I3N2O4.
What is the molecular weight of Iothalamic Acid?
The molecular weight of Iothalamic Acid is 613.7696 g/mol.
What are the applications of Iothalamic Acid?
Iothalamic 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 Iothalamic Acid?
You can request a quote for Iothalamic Acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Iothalamic Acid?
Yes, CoreyChem provides custom synthesis services for Iothalamic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.