Butyl tribromoacetate
TL;DR: Butyl tribromoacetate (CAS 59956-61-5) 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.
butyl 2,2,2-tribromoacetate
Also Known As: Butyl tribromoacetate, n-Butyltribromoacetate, butyl 2,2,2-tribromoacetate, Tribromoacetic acid butyl ester, Acetic acid,2,2,2-tribromo-, butyl ester
| Molecular Formula | C6H9Br3O2 |
|---|---|
| Molecular Weight | 349.82 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 351.81323 |
| Heavy Atoms | 11 |
| Complexity | 130.0 |
Chemical Identifiers
| CAS Number | 59956-61-5 |
|---|---|
| SMILES | CCCCOC(=O)C(Br)(Br)Br |
| InChIKey | NZZXSGDOZVVHAM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butyl tribromoacetate (CAS 59956-61-5), with molecular formula C6H9Br3O2 and molecular weight 349.82 g/mol. IUPAC: butyl 2,2,2-tribromoacetate.
Chemical Property Profile of Butyl tribromoacetate
Property Insights of Butyl tribromoacetate
The XLogP value of 3.7 indicates that Butyl tribromoacetate 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 tribromoacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl tribromoacetate 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 tribromoacetate?
The CAS number of Butyl tribromoacetate is 59956-61-5.
What is the molecular formula of Butyl tribromoacetate?
The molecular formula of Butyl tribromoacetate is C6H9Br3O2.
What is the molecular weight of Butyl tribromoacetate?
The molecular weight of Butyl tribromoacetate is 349.82 g/mol.
Where can I buy Butyl tribromoacetate?
You can request a quote for Butyl tribromoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl tribromoacetate?
Yes, KEHONG BIO provides custom synthesis services for Butyl tribromoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.