1,1-Dimethylethyl dichloroacetate
TL;DR: 1,1-Dimethylethyl dichloroacetate (CAS 49653-47-6) is a chemical compound with molecular formula C6H10Cl2O2 and molecular weight 184.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 2,2-dichloroacetate
Also Known As: tert-butyl 2,2-dichloroacetate, 1,1-Dimethylethyl dichloroacetate, t-butyl dichloroacetate, terbutyl dichloroacetate, tertbutyl dichloroacetate
| Molecular Formula | C6H10Cl2O2 |
|---|---|
| Molecular Weight | 184.01 g/mol |
| LogP | 2.1318 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 184.00578 |
| Heavy Atoms | 10 |
| Complexity | 126.19973 |
Chemical Identifiers
| CAS Number | 49653-47-6 |
|---|---|
| SMILES | CC(C)(C)OC(=O)C(Cl)Cl |
Product Overview
1,1-Dimethylethyl dichloroacetate (CAS 49653-47-6), with molecular formula C6H10Cl2O2 and molecular weight 184.01 g/mol. IUPAC: tert-butyl 2,2-dichloroacetate.
Chemical Property Profile of 1,1-Dimethylethyl dichloroacetate
Property Insights of 1,1-Dimethylethyl dichloroacetate
The XLogP value of 2.1318 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1-Dimethylethyl dichloroacetate. With a topological polar surface area (TPSA) of 26.3 Ų, 1,1-Dimethylethyl dichloroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1-Dimethylethyl dichloroacetate 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 1,1-Dimethylethyl dichloroacetate?
The CAS number of 1,1-Dimethylethyl dichloroacetate is 49653-47-6.
What is the molecular formula of 1,1-Dimethylethyl dichloroacetate?
The molecular formula of 1,1-Dimethylethyl dichloroacetate is C6H10Cl2O2.
What is the molecular weight of 1,1-Dimethylethyl dichloroacetate?
The molecular weight of 1,1-Dimethylethyl dichloroacetate is 184.01 g/mol.
Where can I buy 1,1-Dimethylethyl dichloroacetate?
You can request a quote for 1,1-Dimethylethyl dichloroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1-Dimethylethyl dichloroacetate?
Yes, KEHONG BIO provides custom synthesis services for 1,1-Dimethylethyl dichloroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.