3,5-Diiodoaspirin
TL;DR: 3,5-Diiodoaspirin (CAS 5356-95-6) is a chemical compound with molecular formula C9H6I2O4 and molecular weight 431.84 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-acetyloxy-3,5-diiodobenzoic acid
Also Known As: 3,5-Diiodoaspirin, 2-acetyloxy-3,5-diiodobenzoic acid, 3,5-Diiodosalicylic acid acetate, Benzoic acid, 2-(acetyloxy)-3,5-diiodo-, 2-(acetyloxy)-3,5-diiodobenzoic acid
| Molecular Formula | C9H6I2O4 |
|---|---|
| Molecular Weight | 431.84 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 431.83554 |
| Heavy Atoms | 15 |
| Complexity | 269.0 |
Chemical Identifiers
| CAS Number | 5356-95-6 |
|---|---|
| SMILES | CC(=O)OC1=C(C=C(C=C1I)I)C(=O)O |
| InChIKey | HDTQWKDSSYKXHP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,5-Diiodoaspirin (CAS 5356-95-6), with molecular formula C9H6I2O4 and molecular weight 431.84 g/mol. IUPAC: 2-acetyloxy-3,5-diiodobenzoic acid.
Chemical Property Profile of 3,5-Diiodoaspirin
Property Insights of 3,5-Diiodoaspirin
The XLogP value of 4.1 indicates that 3,5-Diiodoaspirin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Diiodoaspirin. Following Lipinski's Rule of Five, 3,5-Diiodoaspirin has 1 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 3,5-Diiodoaspirin?
The CAS number of 3,5-Diiodoaspirin is 5356-95-6.
What is the molecular formula of 3,5-Diiodoaspirin?
The molecular formula of 3,5-Diiodoaspirin is C9H6I2O4.
What is the molecular weight of 3,5-Diiodoaspirin?
The molecular weight of 3,5-Diiodoaspirin is 431.84 g/mol.
Where can I buy 3,5-Diiodoaspirin?
You can request a quote for 3,5-Diiodoaspirin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Diiodoaspirin?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Diiodoaspirin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.