2,2,2-Trichloroethyl 2-ethoxybenzoate
TL;DR: 2,2,2-Trichloroethyl 2-ethoxybenzoate (CAS 103974-71-6) is a chemical compound with molecular formula C11H11Cl3O3 and molecular weight 295.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trichloroethyl 2-ethoxybenzoate
Also Known As: 2,2,2-trichloroethyl 2-ethoxybenzoate, Benzoic acid,2-ethoxy-, 2,2,2-trichloroethyl ester
| Molecular Formula | C11H11Cl3O3 |
|---|---|
| Molecular Weight | 295.98 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 295.9774 |
| Heavy Atoms | 17 |
| Complexity | 253.0 |
Chemical Identifiers
| CAS Number | 103974-71-6 |
|---|---|
| SMILES | CCOC1=CC=CC=C1C(=O)OCC(Cl)(Cl)Cl |
| InChIKey | AXILWDVKZQKRGM-UHFFFAOYSA-N |
Product Overview
2,2,2-Trichloroethyl 2-ethoxybenzoate (CAS 103974-71-6), with molecular formula C11H11Cl3O3 and molecular weight 295.98 g/mol. IUPAC: 2,2,2-trichloroethyl 2-ethoxybenzoate.
Chemical Property Profile of 2,2,2-Trichloroethyl 2-ethoxybenzoate
Property Insights of 2,2,2-Trichloroethyl 2-ethoxybenzoate
The XLogP value of 3.6 indicates that 2,2,2-Trichloroethyl 2-ethoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, 2,2,2-Trichloroethyl 2-ethoxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,2-Trichloroethyl 2-ethoxybenzoate has 0 hydrogen bond donor(s) and 3 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-Trichloroethyl 2-ethoxybenzoate?
The CAS number of 2,2,2-Trichloroethyl 2-ethoxybenzoate is 103974-71-6.
What is the molecular formula of 2,2,2-Trichloroethyl 2-ethoxybenzoate?
The molecular formula of 2,2,2-Trichloroethyl 2-ethoxybenzoate is C11H11Cl3O3.
What is the molecular weight of 2,2,2-Trichloroethyl 2-ethoxybenzoate?
The molecular weight of 2,2,2-Trichloroethyl 2-ethoxybenzoate is 295.98 g/mol.
Where can I buy 2,2,2-Trichloroethyl 2-ethoxybenzoate?
You can request a quote for 2,2,2-Trichloroethyl 2-ethoxybenzoate 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-Trichloroethyl 2-ethoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2,2,2-Trichloroethyl 2-ethoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.