4-Cyano-2,6-diiodophenyl heptanoate
TL;DR: 4-Cyano-2,6-diiodophenyl heptanoate (CAS 56634-96-9) is a chemical compound with molecular formula C14H15I2NO2 and molecular weight 482.91922 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4-cyano-2,6-diiodophenyl) heptanoate
Also Known As: 4-Cyano-2,6-diiodophenyl heptanoate, (4-cyano-2,6-diiodophenyl) heptanoate, (2,6-dibromo-4-cyanophenyl) heptanoate, Heptanoic acid 4-cyano-2,6-diiodophenyl ester, 260-302-5
Technical Specifications
| Molecular Formula | C14H15I2NO2 |
| Molecular Weight | 482.91922 g/mol |
| XLogP | 5.1 |
| Topological Polar Surface Area (TPSA) | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 482.91922 Da |
| Heavy Atoms | 19 |
| Complexity | 328.0 |
| SMILES | CCCCCCC(=O)OC1=C(C=C(C=C1I)C#N)I |
| InChIKey | GIOFUTQKURPXPS-UHFFFAOYSA-N |
Chemical Property Profile of 4-Cyano-2,6-diiodophenyl heptanoate
Property Insights of 4-Cyano-2,6-diiodophenyl heptanoate
The XLogP value of 5.1 indicates that 4-Cyano-2,6-diiodophenyl heptanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.1 Ų, 4-Cyano-2,6-diiodophenyl heptanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Cyano-2,6-diiodophenyl heptanoate has 0 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 4-Cyano-2,6-diiodophenyl heptanoate?
The CAS number of 4-Cyano-2,6-diiodophenyl heptanoate is 56634-96-9.
What is the molecular formula of 4-Cyano-2,6-diiodophenyl heptanoate?
The molecular formula of 4-Cyano-2,6-diiodophenyl heptanoate is C14H15I2NO2.
What is the molecular weight of 4-Cyano-2,6-diiodophenyl heptanoate?
The molecular weight of 4-Cyano-2,6-diiodophenyl heptanoate is 482.91922 g/mol.
Where can I buy 4-Cyano-2,6-diiodophenyl heptanoate?
You can request a quote for 4-Cyano-2,6-diiodophenyl heptanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Cyano-2,6-diiodophenyl heptanoate?
Yes, CoreyChem provides custom synthesis services for 4-Cyano-2,6-diiodophenyl heptanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.