![[2,2,2-Trichloro-1-(4-chlorophenyl)ethyl] acetate structure](/static/products/705/7057-53-6.png)
[2,2,2-Trichloro-1-(4-chlorophenyl)ethyl] acetate
TL;DR: [2,2,2-Trichloro-1-(4-chlorophenyl)ethyl] acetate (CAS 7057-53-6) is a chemical compound with molecular formula C10H8Cl4O2 and molecular weight 299.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2,2,2-trichloro-1-(4-chlorophenyl)ethyl] acetate
Also Known As: NCIOpen2_007818, 2,2,2-trichloro-1-(4-chlorophenyl)ethyl acetate, J1.976.075H, [2,2,2-trichloro-1-(4-chlorophenyl)ethyl] acetate, 1-(3,4-dichlorophenyl)-2,2,2-trichloroethanol acetate
| Molecular Formula | C10H8Cl4O2 |
|---|---|
| Molecular Weight | 299.93 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 299.92783 |
| Heavy Atoms | 16 |
| Complexity | 244.0 |
Chemical Identifiers
| CAS Number | 7057-53-6 |
|---|---|
| SMILES | CC(=O)OC(C1=CC=C(C=C1)Cl)C(Cl)(Cl)Cl |
| InChIKey | RBLRENIPDVSMGP-UHFFFAOYSA-N |
Product Overview
[2,2,2-Trichloro-1-(4-chlorophenyl)ethyl] acetate (CAS 7057-53-6), with molecular formula C10H8Cl4O2 and molecular weight 299.93 g/mol. IUPAC: [2,2,2-trichloro-1-(4-chlorophenyl)ethyl] acetate.
Chemical Property Profile of [2,2,2-Trichloro-1-(4-chlorophenyl)ethyl] acetate
Property Insights of [2,2,2-Trichloro-1-(4-chlorophenyl)ethyl] acetate
The XLogP value of 4.1 indicates that [2,2,2-Trichloro-1-(4-chlorophenyl)ethyl] acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, [2,2,2-Trichloro-1-(4-chlorophenyl)ethyl] acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [2,2,2-Trichloro-1-(4-chlorophenyl)ethyl] acetate has 0 hydrogen bond donor(s) and 2 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 [2,2,2-Trichloro-1-(4-chlorophenyl)ethyl] acetate?
The CAS number of [2,2,2-Trichloro-1-(4-chlorophenyl)ethyl] acetate is 7057-53-6.
What is the molecular formula of [2,2,2-Trichloro-1-(4-chlorophenyl)ethyl] acetate?
The molecular formula of [2,2,2-Trichloro-1-(4-chlorophenyl)ethyl] acetate is C10H8Cl4O2.
What is the molecular weight of [2,2,2-Trichloro-1-(4-chlorophenyl)ethyl] acetate?
The molecular weight of [2,2,2-Trichloro-1-(4-chlorophenyl)ethyl] acetate is 299.93 g/mol.
Where can I buy [2,2,2-Trichloro-1-(4-chlorophenyl)ethyl] acetate?
You can request a quote for [2,2,2-Trichloro-1-(4-chlorophenyl)ethyl] acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [2,2,2-Trichloro-1-(4-chlorophenyl)ethyl] acetate?
Yes, KEHONG BIO provides custom synthesis services for [2,2,2-Trichloro-1-(4-chlorophenyl)ethyl] acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.