Tert-butyl dibromoacetate
TL;DR: Tert-butyl dibromoacetate (CAS 69713-21-9) is a chemical compound with molecular formula C6H10Br2O2 and molecular weight 271.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 2,2-dibromoacetate
Also Known As: tert-butyl dibromoacetate, tert-butyl 2,2-dibromoacetate, Gadobutrol Impurity 32, Acetic acid, dibromo, 1,1-dimethylethyl ester, 1,1-Dimethylethyl dibromoacetate
| Molecular Formula | C6H10Br2O2 |
|---|---|
| Molecular Weight | 271.90 g/mol |
| LogP | 2.444 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 271.90475 |
| Heavy Atoms | 10 |
| Complexity | 126.19973 |
Chemical Identifiers
| CAS Number | 69713-21-9 |
|---|---|
| SMILES | CC(C)(C)OC(=O)C(Br)Br |
Product Overview
Tert-butyl dibromoacetate (CAS 69713-21-9), with molecular formula C6H10Br2O2 and molecular weight 271.90 g/mol. IUPAC: tert-butyl 2,2-dibromoacetate.
Chemical Property Profile of Tert-butyl dibromoacetate
Property Insights of Tert-butyl dibromoacetate
The XLogP value of 2.444 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tert-butyl dibromoacetate. With a topological polar surface area (TPSA) of 26.3 Ų, Tert-butyl dibromoacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tert-butyl dibromoacetate 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 dibromoacetate?
The CAS number of Tert-butyl dibromoacetate is 69713-21-9.
What is the molecular formula of Tert-butyl dibromoacetate?
The molecular formula of Tert-butyl dibromoacetate is C6H10Br2O2.
What is the molecular weight of Tert-butyl dibromoacetate?
The molecular weight of Tert-butyl dibromoacetate is 271.90 g/mol.
Where can I buy Tert-butyl dibromoacetate?
You can request a quote for Tert-butyl dibromoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tert-butyl dibromoacetate?
Yes, KEHONG BIO provides custom synthesis services for Tert-butyl dibromoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.