Iophendylate
TL;DR: Iophendylate (CAS 99-79-6) is a chemical compound with molecular formula C19H29IO2 and molecular weight 416.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 10-(4-iodophenyl)undecanoate
Also Known As: Iofendylate, IOPHENDYLATE, Mulsopaque, Neurotrast, Pantopaque
| Molecular Formula | C19H29IO2 |
|---|---|
| Molecular Weight | 416.12 g/mol |
| LogP | 7.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 12 |
| Exact Mass | 416.12122 |
| Heavy Atoms | 22 |
| Complexity | 285.0 |
| Boiling Point | 196-198 |
| Density | 1.240-1.263 @ 20 DEG/20 °C |
| Solubility | FREELY SOL IN ALCOHOL, BENZENE, CHLOROFORM, ETHER; VERY SLIGHTLY SOL IN WATER |
| Refractive Index | 1.5230-1.5280 @ 25 °C |
Chemical Identifiers
| CAS Number | 99-79-6 |
|---|---|
| SMILES | CCOC(=O)CCCCCCCCC(C)C1=CC=C(C=C1)I |
| InChIKey | LAYLQVBQIBQVLL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Iophendylate (CAS 99-79-6), with molecular formula C19H29IO2 and molecular weight 416.12 g/mol. IUPAC: ethyl 10-(4-iodophenyl)undecanoate.
Chemical Property Profile of Iophendylate
Property Insights of Iophendylate
The XLogP value of 7.0 indicates that Iophendylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Iophendylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Iophendylate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Iophendylate?
The CAS number of Iophendylate is 99-79-6.
What is the molecular formula of Iophendylate?
The molecular formula of Iophendylate is C19H29IO2.
What is the molecular weight of Iophendylate?
The molecular weight of Iophendylate is 416.12 g/mol.
Where can I buy Iophendylate?
You can request a quote for Iophendylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Iophendylate?
Yes, KEHONG BIO provides custom synthesis services for Iophendylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.