Ethyl (3-iodobenzoyl)acetate
TL;DR: Ethyl (3-iodobenzoyl)acetate (CAS 68332-33-2) is a chemical compound with molecular formula C11H11IO3 and molecular weight 317.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(3-iodophenyl)-3-oxopropanoate
Also Known As: Ethyl (3-iodobenzoyl)acetate, ethyl 3-(3-iodophenyl)-3-oxopropanoate, Ethyl (3-iodobenzoyl)acetate, 97%, ETHYL (3-IODOBENZOYL) ACETATE, ethyl3-(3-iodophenyl)-3-oxopropanoate
| Molecular Formula | C11H11IO3 |
|---|---|
| Molecular Weight | 317.98 g/mol |
| LogP | 2.4271 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 317.97528 |
| Heavy Atoms | 15 |
| Complexity | 373.8507 |
Chemical Identifiers
| CAS Number | 68332-33-2 |
|---|---|
| SMILES | CCOC(=O)CC(=O)C1=CC(=CC=C1)I |
Product Overview
Ethyl (3-iodobenzoyl)acetate (CAS 68332-33-2), with molecular formula C11H11IO3 and molecular weight 317.98 g/mol. IUPAC: ethyl 3-(3-iodophenyl)-3-oxopropanoate.
Chemical Property Profile of Ethyl (3-iodobenzoyl)acetate
Property Insights of Ethyl (3-iodobenzoyl)acetate
The XLogP value of 2.4271 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl (3-iodobenzoyl)acetate. With a topological polar surface area (TPSA) of 43.37 Ų, Ethyl (3-iodobenzoyl)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl (3-iodobenzoyl)acetate 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 (3-iodobenzoyl)acetate?
The CAS number of Ethyl (3-iodobenzoyl)acetate is 68332-33-2.
What is the molecular formula of Ethyl (3-iodobenzoyl)acetate?
The molecular formula of Ethyl (3-iodobenzoyl)acetate is C11H11IO3.
What is the molecular weight of Ethyl (3-iodobenzoyl)acetate?
The molecular weight of Ethyl (3-iodobenzoyl)acetate is 317.98 g/mol.
Where can I buy Ethyl (3-iodobenzoyl)acetate?
You can request a quote for Ethyl (3-iodobenzoyl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl (3-iodobenzoyl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl (3-iodobenzoyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.