4-Cyano-2,6-diiodophenyl butyrate
TL;DR: 4-Cyano-2,6-diiodophenyl butyrate (CAS 71412-25-4) is a chemical compound with molecular formula C11H9I2NO2 and molecular weight 440.87 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-cyano-2,6-diiodophenyl) butanoate
Also Known As: 4-Cyano-2,6-diiodophenyl butyrate, 4-Cyano-2,6-diiodophenylbutyrate, (4-cyano-2,6-diiodophenyl) butanoate, 4-CYANO-2,6-DIIODOPHENYL BUTANOATE, Butanoic acid, 4-cyano-2,6-diiodophenyl ester
| Molecular Formula | C11H9I2NO2 |
|---|---|
| Molecular Weight | 440.87 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 440.87228 |
| Heavy Atoms | 16 |
| Complexity | 288.0 |
Chemical Identifiers
| CAS Number | 71412-25-4 |
|---|---|
| SMILES | CCCC(=O)OC1=C(C=C(C=C1I)C#N)I |
| InChIKey | AKKGPRGLGMMLBJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Cyano-2,6-diiodophenyl butyrate (CAS 71412-25-4), with molecular formula C11H9I2NO2 and molecular weight 440.87 g/mol. IUPAC: (4-cyano-2,6-diiodophenyl) butanoate.
Chemical Property Profile of 4-Cyano-2,6-diiodophenyl butyrate
Property Insights of 4-Cyano-2,6-diiodophenyl butyrate
The XLogP value of 3.5 indicates that 4-Cyano-2,6-diiodophenyl butyrate 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 butyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Cyano-2,6-diiodophenyl butyrate 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 4-Cyano-2,6-diiodophenyl butyrate?
The CAS number of 4-Cyano-2,6-diiodophenyl butyrate is 71412-25-4.
What is the molecular formula of 4-Cyano-2,6-diiodophenyl butyrate?
The molecular formula of 4-Cyano-2,6-diiodophenyl butyrate is C11H9I2NO2.
What is the molecular weight of 4-Cyano-2,6-diiodophenyl butyrate?
The molecular weight of 4-Cyano-2,6-diiodophenyl butyrate is 440.87 g/mol.
Where can I buy 4-Cyano-2,6-diiodophenyl butyrate?
You can request a quote for 4-Cyano-2,6-diiodophenyl butyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Cyano-2,6-diiodophenyl butyrate?
Yes, KEHONG BIO provides custom synthesis services for 4-Cyano-2,6-diiodophenyl butyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.