Methyl 5-Iodosalicylate
TL;DR: Methyl 5-Iodosalicylate (CAS 5345-92-6) is a chemical compound with molecular formula C8H7IO3 and molecular weight 277.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-hydroxy-5-iodobenzoate
Also Known As: Methyl 5-iodosalicylate, Methyl 2-hydroxy-5-iodobenzoate, Methyl5-Iodosalicylate, Methyl-5-iodsalicylate, methyl-5-iodosalicylate
| Molecular Formula | C8H7IO3 |
|---|---|
| Molecular Weight | 277.94 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 277.944 |
| Heavy Atoms | 12 |
| Complexity | 172.0 |
Chemical Identifiers
| CAS Number | 5345-92-6 |
|---|---|
| SMILES | COC(=O)C1=C(C=CC(=C1)I)O |
| InChIKey | NRSWJTRJHPRZMH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 5-Iodosalicylate (CAS 5345-92-6), with molecular formula C8H7IO3 and molecular weight 277.94 g/mol. IUPAC: methyl 2-hydroxy-5-iodobenzoate.
Chemical Property Profile of Methyl 5-Iodosalicylate
Property Insights of Methyl 5-Iodosalicylate
The XLogP value of 3.0 indicates that Methyl 5-Iodosalicylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, Methyl 5-Iodosalicylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 5-Iodosalicylate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl 5-Iodosalicylate?
The CAS number of Methyl 5-Iodosalicylate is 5345-92-6.
What is the molecular formula of Methyl 5-Iodosalicylate?
The molecular formula of Methyl 5-Iodosalicylate is C8H7IO3.
What is the molecular weight of Methyl 5-Iodosalicylate?
The molecular weight of Methyl 5-Iodosalicylate is 277.94 g/mol.
Where can I buy Methyl 5-Iodosalicylate?
You can request a quote for Methyl 5-Iodosalicylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 5-Iodosalicylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5-Iodosalicylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.