Pentabromophenyl acrylate
TL;DR: Pentabromophenyl acrylate (CAS 52660-82-9) is a chemical compound with molecular formula C9H3Br5O2 and molecular weight 537.61 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,3,4,5,6-pentabromophenyl) prop-2-enoate
Also Known As: Pentabromophenyl acrylate, perbromophenyl acrylate, pentabromophenylacrylate, (2,3,4,5,6-pentabromophenyl) Prop-2-enoate, pentabromophenyl prop-2-enoate
| Molecular Formula | C9H3Br5O2 |
|---|---|
| Molecular Weight | 537.61 g/mol |
| LogP | 5.5905 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 537.605 |
| Heavy Atoms | 16 |
| Complexity | 440.4525 |
Chemical Identifiers
| CAS Number | 52660-82-9 |
|---|---|
| SMILES | C=CC(=O)OC1=C(C(=C(C(=C1Br)Br)Br)Br)Br |
Product Overview
Pentabromophenyl acrylate (CAS 52660-82-9), with molecular formula C9H3Br5O2 and molecular weight 537.61 g/mol. IUPAC: (2,3,4,5,6-pentabromophenyl) prop-2-enoate.
Chemical Property Profile of Pentabromophenyl acrylate
Property Insights of Pentabromophenyl acrylate
The XLogP value of 5.5905 indicates that Pentabromophenyl acrylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Pentabromophenyl acrylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentabromophenyl acrylate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pentabromophenyl acrylate?
The CAS number of Pentabromophenyl acrylate is 52660-82-9.
What is the molecular formula of Pentabromophenyl acrylate?
The molecular formula of Pentabromophenyl acrylate is C9H3Br5O2.
What is the molecular weight of Pentabromophenyl acrylate?
The molecular weight of Pentabromophenyl acrylate is 537.61 g/mol.
Where can I buy Pentabromophenyl acrylate?
You can request a quote for Pentabromophenyl acrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentabromophenyl acrylate?
Yes, KEHONG BIO provides custom synthesis services for Pentabromophenyl acrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.