Ethyl 4-(allyloxy)-3,5-diiodobenzoate
TL;DR: Ethyl 4-(allyloxy)-3,5-diiodobenzoate (CAS 91446-76-3) is a chemical compound with molecular formula C12H12I2O3 and molecular weight 457.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3,5-diiodo-4-prop-2-enoxybenzoate
Also Known As: NIOSH/DG0996520, Ethyl 4-(allyloxy)-3,5-diiodobenzoate, ethyl 3,5-diiodo-4-prop-2-enoxybenzoate, Benzoic acid, 4-(allyloxy)-3,5-diiodo-, ethyl ester, Benzoic acid, 3,5-diiodo-4-(2-propen-1-yloxy)-, ethyl ester
| Molecular Formula | C12H12I2O3 |
|---|---|
| Molecular Weight | 457.89 g/mol |
| LogP | 3.6373 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 457.8876 |
| Heavy Atoms | 17 |
| Complexity | 406.75406 |
Chemical Identifiers
| CAS Number | 91446-76-3 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=C(C(=C1)I)OCC=C)I |
Product Overview
Ethyl 4-(allyloxy)-3,5-diiodobenzoate (CAS 91446-76-3), with molecular formula C12H12I2O3 and molecular weight 457.89 g/mol. IUPAC: ethyl 3,5-diiodo-4-prop-2-enoxybenzoate.
Chemical Property Profile of Ethyl 4-(allyloxy)-3,5-diiodobenzoate
Property Insights of Ethyl 4-(allyloxy)-3,5-diiodobenzoate
The XLogP value of 3.6373 indicates that Ethyl 4-(allyloxy)-3,5-diiodobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.53 Ų, Ethyl 4-(allyloxy)-3,5-diiodobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-(allyloxy)-3,5-diiodobenzoate has 0 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-(allyloxy)-3,5-diiodobenzoate?
The CAS number of Ethyl 4-(allyloxy)-3,5-diiodobenzoate is 91446-76-3.
What is the molecular formula of Ethyl 4-(allyloxy)-3,5-diiodobenzoate?
The molecular formula of Ethyl 4-(allyloxy)-3,5-diiodobenzoate is C12H12I2O3.
What is the molecular weight of Ethyl 4-(allyloxy)-3,5-diiodobenzoate?
The molecular weight of Ethyl 4-(allyloxy)-3,5-diiodobenzoate is 457.89 g/mol.
Where can I buy Ethyl 4-(allyloxy)-3,5-diiodobenzoate?
You can request a quote for Ethyl 4-(allyloxy)-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-(allyloxy)-3,5-diiodobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(allyloxy)-3,5-diiodobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.