Bis(acetato-kappaO)(3-methylphenyl)iodine
TL;DR: Bis(acetato-kappaO)(3-methylphenyl)iodine (CAS 2198-93-8) is a chemical compound with molecular formula C11H13IO4 and molecular weight 335.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[acetyloxy-(3-methylphenyl)-λ3-iodanyl] acetate
Also Known As: m-Iodosotoluene diacetate, Diacetato(m-tolyl)iodine, m-(Diacetoxyiodo)toluene, Toluene, m-(diacetoxyiodo)-, 3-(diacetoxyiodo)toluene
| Molecular Formula | C11H13IO4 |
|---|---|
| Molecular Weight | 335.99 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 335.98587 |
| Heavy Atoms | 16 |
| Complexity | 251.0 |
Chemical Identifiers
| CAS Number | 2198-93-8 |
|---|---|
| SMILES | CC1=CC(=CC=C1)I(OC(=O)C)OC(=O)C |
| InChIKey | GYZBFMJVJGCOQB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bis(acetato-kappaO)(3-methylphenyl)iodine (CAS 2198-93-8), with molecular formula C11H13IO4 and molecular weight 335.99 g/mol. IUPAC: [acetyloxy-(3-methylphenyl)-λ3-iodanyl] acetate.
Chemical Property Profile of Bis(acetato-kappaO)(3-methylphenyl)iodine
Property Insights of Bis(acetato-kappaO)(3-methylphenyl)iodine
The XLogP value of 3.1 indicates that Bis(acetato-kappaO)(3-methylphenyl)iodine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Bis(acetato-kappaO)(3-methylphenyl)iodine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bis(acetato-kappaO)(3-methylphenyl)iodine 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
Frequently Asked Questions
What is the CAS number of Bis(acetato-kappaO)(3-methylphenyl)iodine?
The CAS number of Bis(acetato-kappaO)(3-methylphenyl)iodine is 2198-93-8.
What is the molecular formula of Bis(acetato-kappaO)(3-methylphenyl)iodine?
The molecular formula of Bis(acetato-kappaO)(3-methylphenyl)iodine is C11H13IO4.
What is the molecular weight of Bis(acetato-kappaO)(3-methylphenyl)iodine?
The molecular weight of Bis(acetato-kappaO)(3-methylphenyl)iodine is 335.99 g/mol.
Where can I buy Bis(acetato-kappaO)(3-methylphenyl)iodine?
You can request a quote for Bis(acetato-kappaO)(3-methylphenyl)iodine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(acetato-kappaO)(3-methylphenyl)iodine?
Yes, KEHONG BIO provides custom synthesis services for Bis(acetato-kappaO)(3-methylphenyl)iodine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.