Tert-butyl trichloroacetate
TL;DR: Tert-butyl trichloroacetate (CAS 1860-21-5) is a chemical compound with molecular formula C6H9Cl3O2 and molecular weight 217.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 2,2,2-trichloroacetate
Also Known As: TERT-BUTYL TRICHLOROACETATE, tert-butyl 2,2,2-trichloroacetate, t-butyl trichloroacetate, Trichloroacetic acid tert-butyl ester, trichloro-acetic acid t-butyl ester
| Molecular Formula | C6H9Cl3O2 |
|---|---|
| Molecular Weight | 217.97 g/mol |
| LogP | 2.6983 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 217.96681 |
| Heavy Atoms | 11 |
| Complexity | 154.19078 |
Chemical Identifiers
| CAS Number | 1860-21-5 |
|---|---|
| SMILES | CC(C)(C)OC(=O)C(Cl)(Cl)Cl |
Product Overview
Tert-butyl trichloroacetate (CAS 1860-21-5), with molecular formula C6H9Cl3O2 and molecular weight 217.97 g/mol. IUPAC: tert-butyl 2,2,2-trichloroacetate.
Chemical Property Profile of Tert-butyl trichloroacetate
Property Insights of Tert-butyl trichloroacetate
The XLogP value of 2.6983 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tert-butyl trichloroacetate. With a topological polar surface area (TPSA) of 26.3 Ų, Tert-butyl trichloroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tert-butyl 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 Tert-butyl trichloroacetate?
The CAS number of Tert-butyl trichloroacetate is 1860-21-5.
What is the molecular formula of Tert-butyl trichloroacetate?
The molecular formula of Tert-butyl trichloroacetate is C6H9Cl3O2.
What is the molecular weight of Tert-butyl trichloroacetate?
The molecular weight of Tert-butyl trichloroacetate is 217.97 g/mol.
Where can I buy Tert-butyl trichloroacetate?
You can request a quote for Tert-butyl trichloroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tert-butyl trichloroacetate?
Yes, KEHONG BIO provides custom synthesis services for Tert-butyl trichloroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.