Pentabromo(2-bromoethyl)benzene
TL;DR: Pentabromo(2-bromoethyl)benzene (CAS 53097-60-2) is a chemical compound with molecular formula C8H4Br6 and molecular weight 573.54 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,3,4,5-pentabromo-6-(2-bromoethyl)benzene
Also Known As: Pentabromo(2-bromoethyl)benzene, (2-bromoethyl)pentabromobenzene, 1,2,3,4,5-pentabromo-6-(2-bromoethyl)benzene, 1-(2-Bromoethyl)-2,3,4,5,6-pentabromobenzene, 2,3,4,5,6-Pentabromo-1-(2-bromoethyl)benzene
| Molecular Formula | C8H4Br6 |
|---|---|
| Molecular Weight | 573.54 g/mol |
| LogP | 6.4 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 579.53516 |
| Heavy Atoms | 14 |
| Complexity | 171.0 |
Chemical Identifiers
| CAS Number | 53097-60-2 |
|---|---|
| SMILES | C(CBr)C1=C(C(=C(C(=C1Br)Br)Br)Br)Br |
| InChIKey | VCKGAEKPOCKYJV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pentabromo(2-bromoethyl)benzene (CAS 53097-60-2), with molecular formula C8H4Br6 and molecular weight 573.54 g/mol. IUPAC: 1,2,3,4,5-pentabromo-6-(2-bromoethyl)benzene.
Chemical Property Profile of Pentabromo(2-bromoethyl)benzene
Property Insights of Pentabromo(2-bromoethyl)benzene
The XLogP value of 6.4 indicates that Pentabromo(2-bromoethyl)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Pentabromo(2-bromoethyl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentabromo(2-bromoethyl)benzene has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pentabromo(2-bromoethyl)benzene?
The CAS number of Pentabromo(2-bromoethyl)benzene is 53097-60-2.
What is the molecular formula of Pentabromo(2-bromoethyl)benzene?
The molecular formula of Pentabromo(2-bromoethyl)benzene is C8H4Br6.
What is the molecular weight of Pentabromo(2-bromoethyl)benzene?
The molecular weight of Pentabromo(2-bromoethyl)benzene is 573.54 g/mol.
Where can I buy Pentabromo(2-bromoethyl)benzene?
You can request a quote for Pentabromo(2-bromoethyl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentabromo(2-bromoethyl)benzene?
Yes, KEHONG BIO provides custom synthesis services for Pentabromo(2-bromoethyl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.