Acetic acid, (2,4,5-trichlorophenoxy)-, 2-ethyl-2-(hydroxymethyl)hexyl ester
TL;DR: Acetic acid, (2,4,5-trichlorophenoxy)-, 2-ethyl-2-(hydroxymethyl)hexyl ester (CAS 25417-35-0) is a chemical compound with molecular formula C17H23Cl3O4 and molecular weight 396.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-ethyl-2-(hydroxymethyl)hexyl] 2-(2,4,5-trichlorophenoxy)acetate
Also Known As: aceticacid2-ethyl-2- hexylester, Acetic acid, (2,4,5-trichlorophenoxy)-, 2-ethyl-2-(hydroxymethyl)hexyl ester, [2-ethyl-2-(hydroxymethyl)hexyl] 2-(2,4,5-trichlorophenoxy)acetate, 2-butyl-2-ethyl-3-hydroxypropyl 2-(2,4,5-trichlorophenoxy)acetate, 2-Ethyl-2-(hydroxymethyl)hexyl (2,4,5-trichlorophenoxy)acetate
| Molecular Formula | C17H23Cl3O4 |
|---|---|
| Molecular Weight | 396.07 g/mol |
| LogP | 6.0 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 396.0662 |
| Heavy Atoms | 24 |
| Complexity | 383.0 |
Chemical Identifiers
| CAS Number | 25417-35-0 |
|---|---|
| SMILES | CCCCC(CC)(CO)COC(=O)COC1=CC(=C(C=C1Cl)Cl)Cl |
| InChIKey | BBSHWPYNESPBAW-UHFFFAOYSA-N |
Product Overview
Acetic acid, (2,4,5-trichlorophenoxy)-, 2-ethyl-2-(hydroxymethyl)hexyl ester (CAS 25417-35-0), with molecular formula C17H23Cl3O4 and molecular weight 396.07 g/mol. IUPAC: [2-ethyl-2-(hydroxymethyl)hexyl] 2-(2,4,5-trichlorophenoxy)acetate.
Chemical Property Profile of Acetic acid, (2,4,5-trichlorophenoxy)-, 2-ethyl-2-(hydroxymethyl)hexyl ester
Property Insights of Acetic acid, (2,4,5-trichlorophenoxy)-, 2-ethyl-2-(hydroxymethyl)hexyl ester
The XLogP value of 6.0 indicates that Acetic acid, (2,4,5-trichlorophenoxy)-, 2-ethyl-2-(hydroxymethyl)hexyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.8 Ų, Acetic acid, (2,4,5-trichlorophenoxy)-, 2-ethyl-2-(hydroxymethyl)hexyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, (2,4,5-trichlorophenoxy)-, 2-ethyl-2-(hydroxymethyl)hexyl ester has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Acetic acid, (2,4,5-trichlorophenoxy)-, 2-ethyl-2-(hydroxymethyl)hexyl ester?
The CAS number of Acetic acid, (2,4,5-trichlorophenoxy)-, 2-ethyl-2-(hydroxymethyl)hexyl ester is 25417-35-0.
What is the molecular formula of Acetic acid, (2,4,5-trichlorophenoxy)-, 2-ethyl-2-(hydroxymethyl)hexyl ester?
The molecular formula of Acetic acid, (2,4,5-trichlorophenoxy)-, 2-ethyl-2-(hydroxymethyl)hexyl ester is C17H23Cl3O4.
What is the molecular weight of Acetic acid, (2,4,5-trichlorophenoxy)-, 2-ethyl-2-(hydroxymethyl)hexyl ester?
The molecular weight of Acetic acid, (2,4,5-trichlorophenoxy)-, 2-ethyl-2-(hydroxymethyl)hexyl ester is 396.07 g/mol.
Where can I buy Acetic acid, (2,4,5-trichlorophenoxy)-, 2-ethyl-2-(hydroxymethyl)hexyl ester?
You can request a quote for Acetic acid, (2,4,5-trichlorophenoxy)-, 2-ethyl-2-(hydroxymethyl)hexyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, (2,4,5-trichlorophenoxy)-, 2-ethyl-2-(hydroxymethyl)hexyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, (2,4,5-trichlorophenoxy)-, 2-ethyl-2-(hydroxymethyl)hexyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.