2,2,2-Trichloroethyl 2-methylpropanoate
TL;DR: 2,2,2-Trichloroethyl 2-methylpropanoate (CAS 57392-45-7) 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.
2,2,2-trichloroethyl 2-methylpropanoate
Also Known As: 2,2,2-Trichloroethyl 2-methylpropanoate, Isobutyric acid 2,2,2-trichloroethyl ester, Isobutyric acid, 2,2,2-trichloroethyl ester, Propanoic acid, 2-methyl, 2,2,2-trichloroethyl ester
| Molecular Formula | C6H9Cl3O2 |
|---|---|
| Molecular Weight | 217.97 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 217.96681 |
| Heavy Atoms | 11 |
| Complexity | 139.0 |
Chemical Identifiers
| CAS Number | 57392-45-7 |
|---|---|
| SMILES | CC(C)C(=O)OCC(Cl)(Cl)Cl |
| InChIKey | QNYXMOBLXOMWCE-UHFFFAOYSA-N |
Product Overview
2,2,2-Trichloroethyl 2-methylpropanoate (CAS 57392-45-7), with molecular formula C6H9Cl3O2 and molecular weight 217.97 g/mol. IUPAC: 2,2,2-trichloroethyl 2-methylpropanoate.
Chemical Property Profile of 2,2,2-Trichloroethyl 2-methylpropanoate
Property Insights of 2,2,2-Trichloroethyl 2-methylpropanoate
The XLogP value of 3.0 indicates that 2,2,2-Trichloroethyl 2-methylpropanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 2,2,2-Trichloroethyl 2-methylpropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,2-Trichloroethyl 2-methylpropanoate 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 2,2,2-Trichloroethyl 2-methylpropanoate?
The CAS number of 2,2,2-Trichloroethyl 2-methylpropanoate is 57392-45-7.
What is the molecular formula of 2,2,2-Trichloroethyl 2-methylpropanoate?
The molecular formula of 2,2,2-Trichloroethyl 2-methylpropanoate is C6H9Cl3O2.
What is the molecular weight of 2,2,2-Trichloroethyl 2-methylpropanoate?
The molecular weight of 2,2,2-Trichloroethyl 2-methylpropanoate is 217.97 g/mol.
Where can I buy 2,2,2-Trichloroethyl 2-methylpropanoate?
You can request a quote for 2,2,2-Trichloroethyl 2-methylpropanoate 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-methylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for 2,2,2-Trichloroethyl 2-methylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.