2-(3,4,5-Triiodophenoxy)butanoic acid
TL;DR: 2-(3,4,5-Triiodophenoxy)butanoic acid (CAS 90842-74-3) is a chemical compound with molecular formula C10H9I3O3 and molecular weight 557.7686 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(3,4,5-triiodophenoxy)butanoic acid
Also Known As: 2-(3,4,5-Triiodophenoxy)butyric acid, 2-(3,4,5-triiodophenoxy)butanoic acid, BUTYRIC ACID, 2-(3,4,5-TRIIODOPHENOXY)-, 4-06-00-01088 (Beilstein Handbook Reference), BRN 3353863
Technical Specifications
| Molecular Formula | C10H9I3O3 |
| Molecular Weight | 557.7686 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 557.7686 Da |
| Heavy Atoms | 16 |
| Complexity | 237.0 |
| SMILES | CCC(C(=O)O)OC1=CC(=C(C(=C1)I)I)I |
| InChIKey | DYKGPZLYTBFBCA-UHFFFAOYSA-N |
Chemical Property Profile of 2-(3,4,5-Triiodophenoxy)butanoic acid
Property Insights of 2-(3,4,5-Triiodophenoxy)butanoic acid
The XLogP value of 4.4 indicates that 2-(3,4,5-Triiodophenoxy)butanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 2-(3,4,5-Triiodophenoxy)butanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3,4,5-Triiodophenoxy)butanoic acid has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 2-(3,4,5-Triiodophenoxy)butanoic acid?
The CAS number of 2-(3,4,5-Triiodophenoxy)butanoic acid is 90842-74-3.
What is the molecular formula of 2-(3,4,5-Triiodophenoxy)butanoic acid?
The molecular formula of 2-(3,4,5-Triiodophenoxy)butanoic acid is C10H9I3O3.
What is the molecular weight of 2-(3,4,5-Triiodophenoxy)butanoic acid?
The molecular weight of 2-(3,4,5-Triiodophenoxy)butanoic acid is 557.7686 g/mol.
Where can I buy 2-(3,4,5-Triiodophenoxy)butanoic acid?
You can request a quote for 2-(3,4,5-Triiodophenoxy)butanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(3,4,5-Triiodophenoxy)butanoic acid?
Yes, CoreyChem provides custom synthesis services for 2-(3,4,5-Triiodophenoxy)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.