Allyl tribromoacetate
TL;DR: Allyl tribromoacetate (CAS 13686-34-5) is a chemical compound with molecular formula C5H5Br3O2 and molecular weight 333.78 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl 2,2,2-tribromoacetate
Also Known As: Allyl tribromoacetate, Prop-2-en-1-yl tribromoacetate, prop-2-enyl 2,2,2-tribromoacetate, Acetic acid, tribromo-, 2-propenyl ester, RefChem:318089
| Molecular Formula | C5H5Br3O2 |
|---|---|
| Molecular Weight | 333.78 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 333.78397 |
| Heavy Atoms | 10 |
| Complexity | 138.0 |
Chemical Identifiers
| CAS Number | 13686-34-5 |
|---|---|
| SMILES | C=CCOC(=O)C(Br)(Br)Br |
| InChIKey | ZXNKJDAAUQGEPD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Allyl tribromoacetate (CAS 13686-34-5), with molecular formula C5H5Br3O2 and molecular weight 333.78 g/mol. IUPAC: prop-2-enyl 2,2,2-tribromoacetate.
Chemical Property Profile of Allyl tribromoacetate
Property Insights of Allyl tribromoacetate
The XLogP value of 3.1 indicates that Allyl 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, Allyl tribromoacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Allyl 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 Allyl tribromoacetate?
The CAS number of Allyl tribromoacetate is 13686-34-5.
What is the molecular formula of Allyl tribromoacetate?
The molecular formula of Allyl tribromoacetate is C5H5Br3O2.
What is the molecular weight of Allyl tribromoacetate?
The molecular weight of Allyl tribromoacetate is 333.78 g/mol.
Where can I buy Allyl tribromoacetate?
You can request a quote for Allyl tribromoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Allyl tribromoacetate?
Yes, KEHONG BIO provides custom synthesis services for Allyl tribromoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.