Ethyl 4-iodobenzoate
TL;DR: Ethyl 4-iodobenzoate (CAS 141483-15-0) is a chemical compound with molecular formula C9H9IO2 and molecular weight 275.96472 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-iodobenzoate
Also Known As: Ethyl 4-iodobenzoate, ethyl p-iodobenzoate, p-Iodobenzoic acid ethyl ester, ethyl-4-iodobenzoate, ethyl-4 iodobenzoate
Application Areas
Top 5 of 14 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H9IO2 |
| Molecular Weight | 275.96472 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 275.96472 Da |
| Heavy Atoms | 12 |
| Complexity | 151.0 |
| SMILES | CCOC(=O)C1=CC=C(C=C1)I |
| InChIKey | YCBJOQUNPLTBGG-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 4-iodobenzoate
Property Insights of Ethyl 4-iodobenzoate
The XLogP value of 3.3 indicates that Ethyl 4-iodobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl 4-iodobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-iodobenzoate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Ethyl 4-iodobenzoate?
The CAS number of Ethyl 4-iodobenzoate is 141483-15-0.
What is the molecular formula of Ethyl 4-iodobenzoate?
The molecular formula of Ethyl 4-iodobenzoate is C9H9IO2.
What is the molecular weight of Ethyl 4-iodobenzoate?
The molecular weight of Ethyl 4-iodobenzoate is 275.96472 g/mol.
Where can I buy Ethyl 4-iodobenzoate?
You can request a quote for Ethyl 4-iodobenzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 4-iodobenzoate?
Yes, CoreyChem provides custom synthesis services for Ethyl 4-iodobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.