Acetic acid, (2,4,5-trichlorophenoxy)-, 2-(2-methylpropoxy)ethyl ester
TL;DR: Acetic acid, (2,4,5-trichlorophenoxy)-, 2-(2-methylpropoxy)ethyl ester (CAS 62059-40-9) is a chemical compound with molecular formula C14H17Cl3O4 and molecular weight 354.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-methylpropoxy)ethyl 2-(2,4,5-trichlorophenoxy)acetate
Also Known As: 2-Isobutoxyethyl (2,4,5-trichlorophenoxy)acetate #, 2-(2-methylpropoxy)ethyl 2-(2,4,5-trichlorophenoxy)acetate, Acetic acid, (2,4,5-trichlorophenoxy)-, 2-(2-methylpropoxy)ethyl ester, (2,4,5-Trichlorophenoxy)acetic acid 2-(2-methylpropoxy)ethyl ester, Acetic acid,(2,4,5-trichlorophenoxy)-, 2-(2-methylpropoxy)ethyl ester
| Molecular Formula | C14H17Cl3O4 |
|---|---|
| Molecular Weight | 354.02 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 354.01926 |
| Heavy Atoms | 21 |
| Complexity | 315.0 |
Chemical Identifiers
| CAS Number | 62059-40-9 |
|---|---|
| SMILES | CC(C)COCCOC(=O)COC1=CC(=C(C=C1Cl)Cl)Cl |
| InChIKey | VXNDWBFSDOLGPR-UHFFFAOYSA-N |
Product Overview
Acetic acid, (2,4,5-trichlorophenoxy)-, 2-(2-methylpropoxy)ethyl ester (CAS 62059-40-9), with molecular formula C14H17Cl3O4 and molecular weight 354.02 g/mol. IUPAC: 2-(2-methylpropoxy)ethyl 2-(2,4,5-trichlorophenoxy)acetate.
Chemical Property Profile of Acetic acid, (2,4,5-trichlorophenoxy)-, 2-(2-methylpropoxy)ethyl ester
Property Insights of Acetic acid, (2,4,5-trichlorophenoxy)-, 2-(2-methylpropoxy)ethyl ester
The XLogP value of 4.8 indicates that Acetic acid, (2,4,5-trichlorophenoxy)-, 2-(2-methylpropoxy)ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.8 Ų, Acetic acid, (2,4,5-trichlorophenoxy)-, 2-(2-methylpropoxy)ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, (2,4,5-trichlorophenoxy)-, 2-(2-methylpropoxy)ethyl ester has 0 hydrogen bond donor(s) and 4 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 Acetic acid, (2,4,5-trichlorophenoxy)-, 2-(2-methylpropoxy)ethyl ester?
The CAS number of Acetic acid, (2,4,5-trichlorophenoxy)-, 2-(2-methylpropoxy)ethyl ester is 62059-40-9.
What is the molecular formula of Acetic acid, (2,4,5-trichlorophenoxy)-, 2-(2-methylpropoxy)ethyl ester?
The molecular formula of Acetic acid, (2,4,5-trichlorophenoxy)-, 2-(2-methylpropoxy)ethyl ester is C14H17Cl3O4.
What is the molecular weight of Acetic acid, (2,4,5-trichlorophenoxy)-, 2-(2-methylpropoxy)ethyl ester?
The molecular weight of Acetic acid, (2,4,5-trichlorophenoxy)-, 2-(2-methylpropoxy)ethyl ester is 354.02 g/mol.
Where can I buy Acetic acid, (2,4,5-trichlorophenoxy)-, 2-(2-methylpropoxy)ethyl ester?
You can request a quote for Acetic acid, (2,4,5-trichlorophenoxy)-, 2-(2-methylpropoxy)ethyl 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-(2-methylpropoxy)ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, (2,4,5-trichlorophenoxy)-, 2-(2-methylpropoxy)ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.