Metrizoic Acid
TL;DR: Metrizoic Acid (CAS 1949-45-7) is a chemical compound with molecular formula C12H11I3N2O4 and molecular weight 627.7853 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-acetamido-5-[acetyl(methyl)amino]-2,4,6-triiodobenzoic acid
Also Known As: Metrizoic acid, Metrizoate, Acide metrizoique, Acidum metrizoicum, Isopaque
Application Areas
Top 5 of 12 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H11I3N2O4 |
| Molecular Weight | 627.7853 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 86.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 627.7853 Da |
| Heavy Atoms | 21 |
| Complexity | 448.0 |
| SMILES | CC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)N(C)C(=O)C)I |
| InChIKey | GGGDNPWHMNJRFN-UHFFFAOYSA-N |
Product Description
Applications: Metrizoic Acid is used in pharmaceutical synthesis routes and API production, as well as analytical chemistry as a reagent, standard, or reference material. 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, Metrizoic Acid (CAS 1949-45-7) has the molecular formula C12H11I3N2O4 and a molecular weight of 627.79 g/mol. Synonyms include Metrizoic acid and Metrizoate.
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 Metrizoic Acid
Property Insights of Metrizoic Acid
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Metrizoic Acid. The TPSA of 86.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Metrizoic Acid. Following Lipinski's Rule of Five, Metrizoic Acid has 2 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 Metrizoic Acid?
The CAS number of Metrizoic Acid is 1949-45-7.
What is the molecular formula of Metrizoic Acid?
The molecular formula of Metrizoic Acid is C12H11I3N2O4.
What is the molecular weight of Metrizoic Acid?
The molecular weight of Metrizoic Acid is 627.7853 g/mol.
What are the applications of Metrizoic Acid?
Metrizoic Acid is used in pharmaceutical synthesis routes and API production, as well as analytical chemistry as a reagent, standard, or reference material. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis...
Where can I buy Metrizoic Acid?
You can request a quote for Metrizoic Acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Metrizoic Acid?
Yes, CoreyChem provides custom synthesis services for Metrizoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.