5-Chloro-2-(2,4-dichlorophenoxy)phenyl acetate
TL;DR: 5-Chloro-2-(2,4-dichlorophenoxy)phenyl acetate (CAS 4623-99-8) is a chemical compound with molecular formula C14H9Cl3O3 and molecular weight 329.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-chloro-2-(2,4-dichlorophenoxy)phenyl] acetate
Also Known As: Triclosan Impurity 38, 5-Chloro-2-(2,4-dichlorophenoxy)phenyl acetate, 5-chloro-2-(2,4-dichlorophenoxy)phenol acetate, [5-chloro-2-(2,4-dichlorophenoxy)phenyl] acetate, 5-Chloro-2-(2,4-dichlorophenoxy)phenyl acetate #
| Molecular Formula | C14H9Cl3O3 |
|---|---|
| Molecular Weight | 329.96 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 329.96173 |
| Heavy Atoms | 20 |
| Complexity | 340.0 |
Chemical Identifiers
| CAS Number | 4623-99-8 |
|---|---|
| SMILES | CC(=O)OC1=C(C=CC(=C1)Cl)OC2=C(C=C(C=C2)Cl)Cl |
| InChIKey | OQWYRKNRNALTJE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Chloro-2-(2,4-dichlorophenoxy)phenyl acetate (CAS 4623-99-8), with molecular formula C14H9Cl3O3 and molecular weight 329.96 g/mol. IUPAC: [5-chloro-2-(2,4-dichlorophenoxy)phenyl] acetate.
Chemical Property Profile of 5-Chloro-2-(2,4-dichlorophenoxy)phenyl acetate
Property Insights of 5-Chloro-2-(2,4-dichlorophenoxy)phenyl acetate
The XLogP value of 5.1 indicates that 5-Chloro-2-(2,4-dichlorophenoxy)phenyl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, 5-Chloro-2-(2,4-dichlorophenoxy)phenyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Chloro-2-(2,4-dichlorophenoxy)phenyl acetate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-Chloro-2-(2,4-dichlorophenoxy)phenyl acetate?
The CAS number of 5-Chloro-2-(2,4-dichlorophenoxy)phenyl acetate is 4623-99-8.
What is the molecular formula of 5-Chloro-2-(2,4-dichlorophenoxy)phenyl acetate?
The molecular formula of 5-Chloro-2-(2,4-dichlorophenoxy)phenyl acetate is C14H9Cl3O3.
What is the molecular weight of 5-Chloro-2-(2,4-dichlorophenoxy)phenyl acetate?
The molecular weight of 5-Chloro-2-(2,4-dichlorophenoxy)phenyl acetate is 329.96 g/mol.
Where can I buy 5-Chloro-2-(2,4-dichlorophenoxy)phenyl acetate?
You can request a quote for 5-Chloro-2-(2,4-dichlorophenoxy)phenyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Chloro-2-(2,4-dichlorophenoxy)phenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 5-Chloro-2-(2,4-dichlorophenoxy)phenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.