Acetic acid, tribromo, 1,1-dimethylethyl ester
TL;DR: Acetic acid, tribromo, 1,1-dimethylethyl ester (CAS 13686-39-0) is a chemical compound with molecular formula C6H9Br3O2 and molecular weight 349.82 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 2,2,2-tribromoacetate
Also Known As: tert-Butyl tribromoacetate, Dimethylethyl tribromoacetate, tert-butyl 2,2,2-tribromoacetate, Tribromessigsaeure-tert-butylester, Acetic acid, tribromo, 1,1-dimethylethyl ester
| Molecular Formula | C6H9Br3O2 |
|---|---|
| Molecular Weight | 349.82 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 349.81528 |
| Heavy Atoms | 11 |
| Complexity | 154.0 |
Chemical Identifiers
| CAS Number | 13686-39-0 |
|---|---|
| SMILES | CC(C)(C)OC(=O)C(Br)(Br)Br |
| InChIKey | NNWAVDRLTUJGLU-UHFFFAOYSA-N |
Product Overview
Acetic acid, tribromo, 1,1-dimethylethyl ester (CAS 13686-39-0), with molecular formula C6H9Br3O2 and molecular weight 349.82 g/mol. IUPAC: tert-butyl 2,2,2-tribromoacetate.
Chemical Property Profile of Acetic acid, tribromo, 1,1-dimethylethyl ester
Property Insights of Acetic acid, tribromo, 1,1-dimethylethyl ester
The XLogP value of 3.5 indicates that Acetic acid, tribromo, 1,1-dimethylethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Acetic acid, tribromo, 1,1-dimethylethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, tribromo, 1,1-dimethylethyl ester 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 Acetic acid, tribromo, 1,1-dimethylethyl ester?
The CAS number of Acetic acid, tribromo, 1,1-dimethylethyl ester is 13686-39-0.
What is the molecular formula of Acetic acid, tribromo, 1,1-dimethylethyl ester?
The molecular formula of Acetic acid, tribromo, 1,1-dimethylethyl ester is C6H9Br3O2.
What is the molecular weight of Acetic acid, tribromo, 1,1-dimethylethyl ester?
The molecular weight of Acetic acid, tribromo, 1,1-dimethylethyl ester is 349.82 g/mol.
Where can I buy Acetic acid, tribromo, 1,1-dimethylethyl ester?
You can request a quote for Acetic acid, tribromo, 1,1-dimethylethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, tribromo, 1,1-dimethylethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, tribromo, 1,1-dimethylethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.