tert-Butyl bromoacetate
TL;DR: tert-Butyl bromoacetate (CAS 5292-43-3) is a chemical compound with molecular formula C6H11BrO2 and molecular weight 193.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 2-bromoacetate
Also Known As: tert-Butyl bromoacetate, tert-butyl 2-bromoacetate, t-Butyl bromoacetate, tert-Butylbromoacetate, tert-butylbromacetat
| Molecular Formula | C6H11BrO2 |
|---|---|
| Molecular Weight | 193.99 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 193.99425 |
| Heavy Atoms | 9 |
| Complexity | 104.0 |
Chemical Identifiers
| CAS Number | 5292-43-3 |
|---|---|
| SMILES | CC(C)(C)OC(=O)CBr |
| InChIKey | BNWCETAHAJSBFG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
tert-Butyl bromoacetate (CAS 5292-43-3), with molecular formula C6H11BrO2 and molecular weight 193.99 g/mol. IUPAC: tert-butyl 2-bromoacetate.
Chemical Property Profile of tert-Butyl bromoacetate
Property Insights of tert-Butyl bromoacetate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-Butyl bromoacetate. With a topological polar surface area (TPSA) of 26.3 Ų, tert-Butyl bromoacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-Butyl bromoacetate 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 bromoacetate?
The CAS number of tert-Butyl bromoacetate is 5292-43-3.
What is the molecular formula of tert-Butyl bromoacetate?
The molecular formula of tert-Butyl bromoacetate is C6H11BrO2.
What is the molecular weight of tert-Butyl bromoacetate?
The molecular weight of tert-Butyl bromoacetate is 193.99 g/mol.
Where can I buy tert-Butyl bromoacetate?
You can request a quote for tert-Butyl bromoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-Butyl bromoacetate?
Yes, KEHONG BIO provides custom synthesis services for tert-Butyl bromoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.