Benzyl tribromoacetate
TL;DR: Benzyl tribromoacetate (CAS 32919-04-3) is a chemical compound with molecular formula C9H7Br3O2 and molecular weight 383.80 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2,2,2-tribromoacetate
Also Known As: Benzyl tribromoacetate, benzyl 2,2,2-tribromoacetate, Tribromoacetic acid benzyl ester, Acetic acid,2,2,2-tribromo-, phenylmethyl ester, EINECS 251-297-0
| Molecular Formula | C9H7Br3O2 |
|---|---|
| Molecular Weight | 383.80 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 385.79758 |
| Heavy Atoms | 14 |
| Complexity | 195.0 |
Chemical Identifiers
| CAS Number | 32919-04-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)C(Br)(Br)Br |
| InChIKey | JYMUNLHUZAPKLC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzyl tribromoacetate (CAS 32919-04-3), with molecular formula C9H7Br3O2 and molecular weight 383.80 g/mol. IUPAC: benzyl 2,2,2-tribromoacetate.
Chemical Property Profile of Benzyl tribromoacetate
Property Insights of Benzyl tribromoacetate
The XLogP value of 4.3 indicates that Benzyl 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, Benzyl tribromoacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl 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 Benzyl tribromoacetate?
The CAS number of Benzyl tribromoacetate is 32919-04-3.
What is the molecular formula of Benzyl tribromoacetate?
The molecular formula of Benzyl tribromoacetate is C9H7Br3O2.
What is the molecular weight of Benzyl tribromoacetate?
The molecular weight of Benzyl tribromoacetate is 383.80 g/mol.
Where can I buy Benzyl tribromoacetate?
You can request a quote for Benzyl tribromoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl tribromoacetate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl tribromoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.