Ethyl iopanoate
TL;DR: Ethyl iopanoate (CAS 100850-45-1) is a chemical compound with molecular formula C13H16I3NO2 and molecular weight 598.8315 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-[(3-amino-2,4,6-triiodophenyl)methyl]butanoate
Also Known As: Ethyl iopanoate, ethyl 2-[(3-amino-2,4,6-triiodophenyl)methyl]butanoate, ethyl 2-[(3-amino-2,4,6-triiodo-phenyl)methyl]butanoate, Butanedioic acid, (3-hydroxy-4-oxo-2-butenylidene)-, Benzene, 1-(1-chloro-2-nitrosocyclohexyl)-3-methoxy-
Technical Specifications
| Molecular Formula | C13H16I3NO2 |
| Molecular Weight | 598.8315 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 598.8315 Da |
| Heavy Atoms | 19 |
| Complexity | 304.0 |
| SMILES | CCC(CC1=C(C(=C(C=C1I)I)N)I)C(=O)OCC |
| InChIKey | OBQUJIRCCAHNMD-UHFFFAOYSA-N |
Product Description
Applications: Ethyl iopanoate is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A fine chemical supplied by CoreyChem, Ethyl iopanoate (CAS 100850-45-1) has the molecular formula C13H16I3NO2 and a molecular weight of 598.83 g/mol. Synonyms include Ethyl iopanoate and ethyl 2-[(3-amino-2,4,6-triiodophenyl)methyl]butanoate.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Ethyl iopanoate
Property Insights of Ethyl iopanoate
The XLogP value of 4.6 indicates that Ethyl iopanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.3 Ų, Ethyl iopanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl iopanoate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Ethyl iopanoate?
The CAS number of Ethyl iopanoate is 100850-45-1.
What is the molecular formula of Ethyl iopanoate?
The molecular formula of Ethyl iopanoate is C13H16I3NO2.
What is the molecular weight of Ethyl iopanoate?
The molecular weight of Ethyl iopanoate is 598.8315 g/mol.
What are the applications of Ethyl iopanoate?
Ethyl iopanoate is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Where can I buy Ethyl iopanoate?
You can request a quote for Ethyl iopanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl iopanoate?
Yes, CoreyChem provides custom synthesis services for Ethyl iopanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.