Ethyl 11-(4-iodophenyl)undecanoate
TL;DR: Ethyl 11-(4-iodophenyl)undecanoate (CAS 5933-75-5) 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 11-(4-iodophenyl)undecanoate
Also Known As: ethyl 11-(4-iodophenyl)undecanoate, Ethyl 4-iodobenzeneundecanoate, Aethyl-10-(p-Iodphenyl)-undecanoat, ETHYL 11-(P-IODOPHENYL)UNDECYLATE, Benzeneundecanoic acid, 4-iodo-, ethyl ester
| Molecular Formula | C19H29IO2 |
|---|---|
| Molecular Weight | 416.12 g/mol |
| LogP | 7.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 13 |
| Exact Mass | 416.12122 |
| Heavy Atoms | 22 |
| Complexity | 273.0 |
Chemical Identifiers
| CAS Number | 5933-75-5 |
|---|---|
| SMILES | CCOC(=O)CCCCCCCCCCC1=CC=C(C=C1)I |
| InChIKey | BBFSXKUIVDQMIR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 11-(4-iodophenyl)undecanoate (CAS 5933-75-5), with molecular formula C19H29IO2 and molecular weight 416.12 g/mol. IUPAC: ethyl 11-(4-iodophenyl)undecanoate.
Chemical Property Profile of Ethyl 11-(4-iodophenyl)undecanoate
Property Insights of Ethyl 11-(4-iodophenyl)undecanoate
The XLogP value of 7.2 indicates that Ethyl 11-(4-iodophenyl)undecanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl 11-(4-iodophenyl)undecanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 11-(4-iodophenyl)undecanoate 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 Ethyl 11-(4-iodophenyl)undecanoate?
The CAS number of Ethyl 11-(4-iodophenyl)undecanoate is 5933-75-5.
What is the molecular formula of Ethyl 11-(4-iodophenyl)undecanoate?
The molecular formula of Ethyl 11-(4-iodophenyl)undecanoate is C19H29IO2.
What is the molecular weight of Ethyl 11-(4-iodophenyl)undecanoate?
The molecular weight of Ethyl 11-(4-iodophenyl)undecanoate is 416.12 g/mol.
Where can I buy Ethyl 11-(4-iodophenyl)undecanoate?
You can request a quote for Ethyl 11-(4-iodophenyl)undecanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 11-(4-iodophenyl)undecanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 11-(4-iodophenyl)undecanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.