Ethyl 7-(3-amino-2,4,6-triiodophenyl)-heptanoate
TL;DR: Ethyl 7-(3-amino-2,4,6-triiodophenyl)-heptanoate (CAS 161466-39-3) is a chemical compound with molecular formula C15H20I3NO2 and molecular weight 626.8628 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 7-(3-amino-2,4,6-triiodophenyl)heptanoate
Also Known As: starbld0008584, ethyl 7-(3-amino-2,4,6-triiodophenyl)heptanoate, 3-Amino-2,4,6-triiodobenzeneheptanoic Acid Ethyl Ester, Ethyl 3-amino-2,4,6-triiodobenzeneheptanoate, Ethyl 7-(3-amino-2,4,6-triiodo-phenyl)heptanoate
Technical Specifications
| Molecular Formula | C15H20I3NO2 |
| Molecular Weight | 626.8628 g/mol |
| XLogP | 5.6 |
| Topological Polar Surface Area (TPSA) | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 626.8628 Da |
| Heavy Atoms | 21 |
| Complexity | 317.0 |
| SMILES | CCOC(=O)CCCCCCC1=C(C(=C(C=C1I)I)N)I |
| InChIKey | LZRSTVREZNQBLF-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 7-(3-amino-2,4,6-triiodophenyl)-heptanoate
Property Insights of Ethyl 7-(3-amino-2,4,6-triiodophenyl)-heptanoate
The XLogP value of 5.6 indicates that Ethyl 7-(3-amino-2,4,6-triiodophenyl)-heptanoate 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 7-(3-amino-2,4,6-triiodophenyl)-heptanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 7-(3-amino-2,4,6-triiodophenyl)-heptanoate 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 7-(3-amino-2,4,6-triiodophenyl)-heptanoate?
The CAS number of Ethyl 7-(3-amino-2,4,6-triiodophenyl)-heptanoate is 161466-39-3.
What is the molecular formula of Ethyl 7-(3-amino-2,4,6-triiodophenyl)-heptanoate?
The molecular formula of Ethyl 7-(3-amino-2,4,6-triiodophenyl)-heptanoate is C15H20I3NO2.
What is the molecular weight of Ethyl 7-(3-amino-2,4,6-triiodophenyl)-heptanoate?
The molecular weight of Ethyl 7-(3-amino-2,4,6-triiodophenyl)-heptanoate is 626.8628 g/mol.
Where can I buy Ethyl 7-(3-amino-2,4,6-triiodophenyl)-heptanoate?
You can request a quote for Ethyl 7-(3-amino-2,4,6-triiodophenyl)-heptanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 7-(3-amino-2,4,6-triiodophenyl)-heptanoate?
Yes, CoreyChem provides custom synthesis services for Ethyl 7-(3-amino-2,4,6-triiodophenyl)-heptanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.