Butyl dibromoacetate
TL;DR: Butyl dibromoacetate (CAS 59956-56-8) 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.
butyl 2,2-dibromoacetate
Also Known As: Butyl dibromoacetate, butyldibromoacetate, butyl 2,2-dibromoacetate, Dibromoacetic acid butyl ester, Acetic acid,2,2-dibromo-, butyl ester
| Molecular Formula | C6H10Br2O2 |
|---|---|
| Molecular Weight | 271.90 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 273.9027 |
| Heavy Atoms | 10 |
| Complexity | 104.0 |
Chemical Identifiers
| CAS Number | 59956-56-8 |
|---|---|
| SMILES | CCCCOC(=O)C(Br)Br |
| InChIKey | PRKVHEYASKRHKL-UHFFFAOYSA-N |
Product Overview
Butyl dibromoacetate (CAS 59956-56-8), with molecular formula C6H10Br2O2 and molecular weight 271.90 g/mol. IUPAC: butyl 2,2-dibromoacetate.
Chemical Property Profile of Butyl dibromoacetate
Property Insights of Butyl dibromoacetate
The XLogP value of 3.0 indicates that Butyl dibromoacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Butyl dibromoacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 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 Butyl dibromoacetate?
The CAS number of Butyl dibromoacetate is 59956-56-8.
What is the molecular formula of Butyl dibromoacetate?
The molecular formula of Butyl dibromoacetate is C6H10Br2O2.
What is the molecular weight of Butyl dibromoacetate?
The molecular weight of Butyl dibromoacetate is 271.90 g/mol.
Where can I buy Butyl dibromoacetate?
You can request a quote for Butyl dibromoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl dibromoacetate?
Yes, KEHONG BIO provides custom synthesis services for Butyl dibromoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.