4-Methyl-3-(2,2,2-trichloroethyl)phenyl acetate
TL;DR: 4-Methyl-3-(2,2,2-trichloroethyl)phenyl acetate (CAS 92104-52-4) is a chemical compound with molecular formula C11H11Cl3O2 and molecular weight 279.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-methyl-3-(2,2,2-trichloroethyl)phenyl] acetate
Also Known As: NCIOpen2_007285, 4-methyl-3-(2,2,2-trichloroethyl)phenyl acetate, [4-methyl-3-(2,2,2-trichloroethyl)phenyl] acetate, Essigsaeure-<4-methyl-3-(2.2.2-trichlor-ethyl)-phenyl>-ester
| Molecular Formula | C11H11Cl3O2 |
|---|---|
| Molecular Weight | 279.98 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 | 279.98245 |
| Heavy Atoms | 16 |
| Complexity | 250.0 |
Chemical Identifiers
| CAS Number | 92104-52-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)OC(=O)C)CC(Cl)(Cl)Cl |
| InChIKey | IYUIQDRIQANGPR-UHFFFAOYSA-N |
Product Overview
4-Methyl-3-(2,2,2-trichloroethyl)phenyl acetate (CAS 92104-52-4), with molecular formula C11H11Cl3O2 and molecular weight 279.98 g/mol. IUPAC: [4-methyl-3-(2,2,2-trichloroethyl)phenyl] acetate.
Chemical Property Profile of 4-Methyl-3-(2,2,2-trichloroethyl)phenyl acetate
Property Insights of 4-Methyl-3-(2,2,2-trichloroethyl)phenyl acetate
The XLogP value of 4.1 indicates that 4-Methyl-3-(2,2,2-trichloroethyl)phenyl 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, 4-Methyl-3-(2,2,2-trichloroethyl)phenyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methyl-3-(2,2,2-trichloroethyl)phenyl 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 4-Methyl-3-(2,2,2-trichloroethyl)phenyl acetate?
The CAS number of 4-Methyl-3-(2,2,2-trichloroethyl)phenyl acetate is 92104-52-4.
What is the molecular formula of 4-Methyl-3-(2,2,2-trichloroethyl)phenyl acetate?
The molecular formula of 4-Methyl-3-(2,2,2-trichloroethyl)phenyl acetate is C11H11Cl3O2.
What is the molecular weight of 4-Methyl-3-(2,2,2-trichloroethyl)phenyl acetate?
The molecular weight of 4-Methyl-3-(2,2,2-trichloroethyl)phenyl acetate is 279.98 g/mol.
Where can I buy 4-Methyl-3-(2,2,2-trichloroethyl)phenyl acetate?
You can request a quote for 4-Methyl-3-(2,2,2-trichloroethyl)phenyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methyl-3-(2,2,2-trichloroethyl)phenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-3-(2,2,2-trichloroethyl)phenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.