2-Phenylethyl trichloroacetate
TL;DR: 2-Phenylethyl trichloroacetate (CAS 71965-07-6) is a chemical compound with molecular formula C10H9Cl3O2 and molecular weight 265.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenylethyl 2,2,2-trichloroacetate
Also Known As: 2-Phenylethyl trichloroacetate, 2-phenylethyl 2,2,2-trichloroacetate, 2-phenylethyltrichloroacetate, 2-Phenylethyl trichloroacetate #, phenethyl 2,2,2-trichloroacetate
| Molecular Formula | C10H9Cl3O2 |
|---|---|
| Molecular Weight | 265.97 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 265.96683 |
| Heavy Atoms | 15 |
| Complexity | 207.0 |
Chemical Identifiers
| CAS Number | 71965-07-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCOC(=O)C(Cl)(Cl)Cl |
| InChIKey | ZIOAZUXFQCBCKA-UHFFFAOYSA-N |
Product Overview
2-Phenylethyl trichloroacetate (CAS 71965-07-6), with molecular formula C10H9Cl3O2 and molecular weight 265.97 g/mol. IUPAC: 2-phenylethyl 2,2,2-trichloroacetate.
Chemical Property Profile of 2-Phenylethyl trichloroacetate
Property Insights of 2-Phenylethyl trichloroacetate
The XLogP value of 4.2 indicates that 2-Phenylethyl trichloroacetate 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-Phenylethyl trichloroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Phenylethyl trichloroacetate 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-Phenylethyl trichloroacetate?
The CAS number of 2-Phenylethyl trichloroacetate is 71965-07-6.
What is the molecular formula of 2-Phenylethyl trichloroacetate?
The molecular formula of 2-Phenylethyl trichloroacetate is C10H9Cl3O2.
What is the molecular weight of 2-Phenylethyl trichloroacetate?
The molecular weight of 2-Phenylethyl trichloroacetate is 265.97 g/mol.
Where can I buy 2-Phenylethyl trichloroacetate?
You can request a quote for 2-Phenylethyl trichloroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Phenylethyl trichloroacetate?
Yes, KEHONG BIO provides custom synthesis services for 2-Phenylethyl trichloroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.