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Molecular iodine;2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethanol
TL;DR: Molecular iodine;2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethanol (CAS 53404-04-9) is a chemical compound with molecular formula C16H26I2O2 and molecular weight 504.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
molecular iodine;2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethanol
Also Known As: Caswell No. 614A, EPA Pesticide Chemical Code 046915, Octylphenoxypolyethoxyethanol-iodine complex, (C2-H4-O)mult-C14-H22-O.x-I2, p-Octylphenoxypolyethoxyethanol - iodine complex
| Molecular Formula | C16H26I2O2 |
|---|---|
| Molecular Weight | 504.00 g/mol |
| LogP | 5.54 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 504.00223 |
| Heavy Atoms | 20 |
| Complexity | 232.0 |
Chemical Identifiers
| CAS Number | 53404-04-9 |
|---|---|
| SMILES | CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OCCO.II |
| InChIKey | SNMLPSPMDTYWBX-UHFFFAOYSA-N |
Product Overview
Molecular iodine;2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethanol (CAS 53404-04-9), with molecular formula C16H26I2O2 and molecular weight 504.00 g/mol. IUPAC: molecular iodine;2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethanol.
Chemical Property Profile of Molecular iodine;2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethanol
Property Insights of Molecular iodine;2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethanol
The XLogP value of 5.54 indicates that Molecular iodine;2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethanol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, Molecular iodine;2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Molecular iodine;2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethanol has 1 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 Molecular iodine;2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethanol?
The CAS number of Molecular iodine;2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethanol is 53404-04-9.
What is the molecular formula of Molecular iodine;2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethanol?
The molecular formula of Molecular iodine;2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethanol is C16H26I2O2.
What is the molecular weight of Molecular iodine;2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethanol?
The molecular weight of Molecular iodine;2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethanol is 504.00 g/mol.
Where can I buy Molecular iodine;2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethanol?
You can request a quote for Molecular iodine;2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Molecular iodine;2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethanol?
Yes, KEHONG BIO provides custom synthesis services for Molecular iodine;2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]ethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.