Ethyl 4-hydroxy-3,5-diiodobenzoate
TL;DR: Ethyl 4-hydroxy-3,5-diiodobenzoate (CAS 54073-94-8) is a chemical compound with molecular formula C9H8I2O3 and molecular weight 417.86 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-hydroxy-3,5-diiodobenzoate
Also Known As: Ethyl 4-hydroxy-3,5-diiodobenzoate, 3,5-Diiodoethyl-4-hydroxybenzoate, Ethyl 4-hydroxy-35-diiodobenzoate, Ethyl4-hydroxy-3,5-diiodobenzoate, Ethyl 3,5-diiodo-4-hydroxybenzoate
| Molecular Formula | C9H8I2O3 |
|---|---|
| Molecular Weight | 417.86 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 417.8563 |
| Heavy Atoms | 14 |
| Complexity | 198.0 |
Chemical Identifiers
| CAS Number | 54073-94-8 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=C(C(=C1)I)O)I |
| InChIKey | AVFDHVCJEMRWFS-UHFFFAOYSA-N |
Product Overview
Ethyl 4-hydroxy-3,5-diiodobenzoate (CAS 54073-94-8), with molecular formula C9H8I2O3 and molecular weight 417.86 g/mol. IUPAC: ethyl 4-hydroxy-3,5-diiodobenzoate.
Chemical Property Profile of Ethyl 4-hydroxy-3,5-diiodobenzoate
Property Insights of Ethyl 4-hydroxy-3,5-diiodobenzoate
The XLogP value of 3.1 indicates that Ethyl 4-hydroxy-3,5-diiodobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, Ethyl 4-hydroxy-3,5-diiodobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-hydroxy-3,5-diiodobenzoate has 1 hydrogen bond donor(s) and 3 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 Ethyl 4-hydroxy-3,5-diiodobenzoate?
The CAS number of Ethyl 4-hydroxy-3,5-diiodobenzoate is 54073-94-8.
What is the molecular formula of Ethyl 4-hydroxy-3,5-diiodobenzoate?
The molecular formula of Ethyl 4-hydroxy-3,5-diiodobenzoate is C9H8I2O3.
What is the molecular weight of Ethyl 4-hydroxy-3,5-diiodobenzoate?
The molecular weight of Ethyl 4-hydroxy-3,5-diiodobenzoate is 417.86 g/mol.
Where can I buy Ethyl 4-hydroxy-3,5-diiodobenzoate?
You can request a quote for Ethyl 4-hydroxy-3,5-diiodobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-hydroxy-3,5-diiodobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-hydroxy-3,5-diiodobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.