Benzyl trichloroacetate
TL;DR: Benzyl trichloroacetate (CAS 26827-38-3) is a chemical compound with molecular formula C9H7Cl3O2 and molecular weight 251.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2,2,2-trichloroacetate
Also Known As: Benzyl trichloroacetate, benzyl 2,2,2-trichloroacetate, Trichloroacetic acid benzyl ester, Trichloroacetic acid, benzyl ester, Acetic acid, trichloro-, benzyl ester
| Molecular Formula | C9H7Cl3O2 |
|---|---|
| Molecular Weight | 251.95 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 251.95116 |
| Heavy Atoms | 14 |
| Complexity | 195.0 |
Chemical Identifiers
| CAS Number | 26827-38-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)C(Cl)(Cl)Cl |
| InChIKey | ATMAFOGHBMIGMV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzyl trichloroacetate (CAS 26827-38-3), with molecular formula C9H7Cl3O2 and molecular weight 251.95 g/mol. IUPAC: benzyl 2,2,2-trichloroacetate.
Chemical Property Profile of Benzyl trichloroacetate
Property Insights of Benzyl trichloroacetate
The XLogP value of 3.8 indicates that Benzyl 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, Benzyl trichloroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl 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 Benzyl trichloroacetate?
The CAS number of Benzyl trichloroacetate is 26827-38-3.
What is the molecular formula of Benzyl trichloroacetate?
The molecular formula of Benzyl trichloroacetate is C9H7Cl3O2.
What is the molecular weight of Benzyl trichloroacetate?
The molecular weight of Benzyl trichloroacetate is 251.95 g/mol.
Where can I buy Benzyl trichloroacetate?
You can request a quote for Benzyl trichloroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl trichloroacetate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl trichloroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.