(2-Iodophenyl)3,4,5-triiodobenzoate
TL;DR: (2-Iodophenyl)3,4,5-triiodobenzoate (CAS 73986-56-8) is a chemical compound with molecular formula C13H6I4O2 and molecular weight 701.6547 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2-iodophenyl) 3,4,5-triiodobenzoate
Also Known As: Phenol, 2-iodo-, 3,4,5-triiodobenzoate, 2-iodophenyl 3,4,5-triiodobenzoate, o-Iodophenyl 3,4,5-triiodobenzoate, Phenol, 3,4,5-triiodobenzoate, o-Iodophenyl 3,5-triiodobenzoate
Technical Specifications
| Molecular Formula | C13H6I4O2 |
| Molecular Weight | 701.6547 g/mol |
| XLogP | 6.2 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 701.6547 Da |
| Heavy Atoms | 19 |
| Complexity | 314.0 |
| SMILES | C1=CC=C(C(=C1)OC(=O)C2=CC(=C(C(=C2)I)I)I)I |
| InChIKey | IHENPGBTLOVCMW-UHFFFAOYSA-N |
Chemical Property Profile of (2-Iodophenyl)3,4,5-triiodobenzoate
Property Insights of (2-Iodophenyl)3,4,5-triiodobenzoate
The XLogP value of 6.2 indicates that (2-Iodophenyl)3,4,5-triiodobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, (2-Iodophenyl)3,4,5-triiodobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2-Iodophenyl)3,4,5-triiodobenzoate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of (2-Iodophenyl)3,4,5-triiodobenzoate?
The CAS number of (2-Iodophenyl)3,4,5-triiodobenzoate is 73986-56-8.
What is the molecular formula of (2-Iodophenyl)3,4,5-triiodobenzoate?
The molecular formula of (2-Iodophenyl)3,4,5-triiodobenzoate is C13H6I4O2.
What is the molecular weight of (2-Iodophenyl)3,4,5-triiodobenzoate?
The molecular weight of (2-Iodophenyl)3,4,5-triiodobenzoate is 701.6547 g/mol.
Where can I buy (2-Iodophenyl)3,4,5-triiodobenzoate?
You can request a quote for (2-Iodophenyl)3,4,5-triiodobenzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (2-Iodophenyl)3,4,5-triiodobenzoate?
Yes, CoreyChem provides custom synthesis services for (2-Iodophenyl)3,4,5-triiodobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.