Ethyl 3-iodobenzoate
TL;DR: Ethyl 3-iodobenzoate (CAS 58313-23-8) is a chemical compound with molecular formula C9H9IO2 and molecular weight 275.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-iodobenzoate
Also Known As: Ethyl 3-iodobenzoate, ETHYL-3-IODOBENZOATE, 3-Iodobenzoic Acid Ethyl Ester, PROROXAN, ethyl-3-iodo-benzoate
| Molecular Formula | C9H9IO2 |
|---|---|
| Molecular Weight | 275.96 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 275.96472 |
| Heavy Atoms | 12 |
| Complexity | 159.0 |
Chemical Identifiers
| CAS Number | 58313-23-8 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=CC=C1)I |
| InChIKey | POGCXCWRMMXDAQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 3-iodobenzoate (CAS 58313-23-8), with molecular formula C9H9IO2 and molecular weight 275.96 g/mol. IUPAC: ethyl 3-iodobenzoate.
Chemical Property Profile of Ethyl 3-iodobenzoate
Property Insights of Ethyl 3-iodobenzoate
The XLogP value of 3.8 indicates that Ethyl 3-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 3-iodobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-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
Frequently Asked Questions
What is the CAS number of Ethyl 3-iodobenzoate?
The CAS number of Ethyl 3-iodobenzoate is 58313-23-8.
What is the molecular formula of Ethyl 3-iodobenzoate?
The molecular formula of Ethyl 3-iodobenzoate is C9H9IO2.
What is the molecular weight of Ethyl 3-iodobenzoate?
The molecular weight of Ethyl 3-iodobenzoate is 275.96 g/mol.
Where can I buy Ethyl 3-iodobenzoate?
You can request a quote for Ethyl 3-iodobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-iodobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-iodobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.