Methyl O-acetyl-5-iodosalicylate
TL;DR: Methyl O-acetyl-5-iodosalicylate (CAS 22621-40-5) is a chemical compound with molecular formula C10H9IO4 and molecular weight 319.95456 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 5-acetyloxy-2-iodobenzoate
Also Known As: Methyl O-acetyl-5-iodosalicylate, methyl 5-(acetyloxy)-2-iodobenzoate, methyl 5-acetyloxy-2-iodobenzoate, 2-Acetoxy-5-jod-benzoesaeure-methylester, 245-136-3
Technical Specifications
| Molecular Formula | C10H9IO4 |
| Molecular Weight | 319.95456 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 319.95456 Da |
| Heavy Atoms | 15 |
| Complexity | 254.0 |
| SMILES | CC(=O)OC1=CC(=C(C=C1)I)C(=O)OC |
| InChIKey | HRVZFEACPOXONC-UHFFFAOYSA-N |
Chemical Property Profile of Methyl O-acetyl-5-iodosalicylate
Property Insights of Methyl O-acetyl-5-iodosalicylate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl O-acetyl-5-iodosalicylate. With a topological polar surface area (TPSA) of 52.6 Ų, Methyl O-acetyl-5-iodosalicylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl O-acetyl-5-iodosalicylate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Methyl O-acetyl-5-iodosalicylate?
The CAS number of Methyl O-acetyl-5-iodosalicylate is 22621-40-5.
What is the molecular formula of Methyl O-acetyl-5-iodosalicylate?
The molecular formula of Methyl O-acetyl-5-iodosalicylate is C10H9IO4.
What is the molecular weight of Methyl O-acetyl-5-iodosalicylate?
The molecular weight of Methyl O-acetyl-5-iodosalicylate is 319.95456 g/mol.
Where can I buy Methyl O-acetyl-5-iodosalicylate?
You can request a quote for Methyl O-acetyl-5-iodosalicylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl O-acetyl-5-iodosalicylate?
Yes, CoreyChem provides custom synthesis services for Methyl O-acetyl-5-iodosalicylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.