Bis(acetyloxy)(4-methylphenyl)-lambda~3~-iodane
TL;DR: Bis(acetyloxy)(4-methylphenyl)-lambda~3~-iodane (CAS 16308-16-0) 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-(4-methylphenyl)-λ3-iodanyl] acetate
Also Known As: tiagabine, p-(Diacetoxyiodo)-toluene, 4-(Diacetoxyiodo)toluene, 4-Tolyliodonium diacetate, para-tolyliodonium diacetate
| Molecular Formula | C11H13IO4 |
|---|---|
| Molecular Weight | 335.99 g/mol |
| LogP | 2.62722 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 335.98587 |
| Heavy Atoms | 16 |
| Complexity | 369.47595 |
Chemical Identifiers
| CAS Number | 16308-16-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)I(OC(=O)C)OC(=O)C |
Product Overview
Bis(acetyloxy)(4-methylphenyl)-lambda~3~-iodane (CAS 16308-16-0), with molecular formula C11H13IO4 and molecular weight 335.99 g/mol. IUPAC: [acetyloxy-(4-methylphenyl)-λ3-iodanyl] acetate.
Chemical Property Profile of Bis(acetyloxy)(4-methylphenyl)-lambda~3~-iodane
Property Insights of Bis(acetyloxy)(4-methylphenyl)-lambda~3~-iodane
The XLogP value of 2.62722 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bis(acetyloxy)(4-methylphenyl)-lambda~3~-iodane. With a topological polar surface area (TPSA) of 52.6 Ų, Bis(acetyloxy)(4-methylphenyl)-lambda~3~-iodane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bis(acetyloxy)(4-methylphenyl)-lambda~3~-iodane 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(acetyloxy)(4-methylphenyl)-lambda~3~-iodane?
The CAS number of Bis(acetyloxy)(4-methylphenyl)-lambda~3~-iodane is 16308-16-0.
What is the molecular formula of Bis(acetyloxy)(4-methylphenyl)-lambda~3~-iodane?
The molecular formula of Bis(acetyloxy)(4-methylphenyl)-lambda~3~-iodane is C11H13IO4.
What is the molecular weight of Bis(acetyloxy)(4-methylphenyl)-lambda~3~-iodane?
The molecular weight of Bis(acetyloxy)(4-methylphenyl)-lambda~3~-iodane is 335.99 g/mol.
Where can I buy Bis(acetyloxy)(4-methylphenyl)-lambda~3~-iodane?
You can request a quote for Bis(acetyloxy)(4-methylphenyl)-lambda~3~-iodane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(acetyloxy)(4-methylphenyl)-lambda~3~-iodane?
Yes, KEHONG BIO provides custom synthesis services for Bis(acetyloxy)(4-methylphenyl)-lambda~3~-iodane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.