Pentabromophenol
TL;DR: Pentabromophenol (CAS 608-71-9) is a chemical compound with molecular formula C6HBr5O and molecular weight 483.59 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,4,5,6-pentabromophenol
Also Known As: PENTABROMOPHENOL, Phenol, pentabromo-, Flammex 5BP, 2,3,4,5,6-Pentabromophenol, Pentabromfenol
| Molecular Formula | C6HBr5O |
|---|---|
| Molecular Weight | 483.59 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 487.59033 |
| Heavy Atoms | 12 |
| Complexity | 150.0 |
| Melting Point | 229.5 °C |
| Boiling Point | Sublimes |
| Solubility | Insoluble (NTP, 1992) |
| Vapor Pressure | 0.00000038 [mmHg] |
Chemical Identifiers
| CAS Number | 608-71-9 |
|---|---|
| SMILES | C1(=C(C(=C(C(=C1Br)Br)Br)Br)Br)O |
| InChIKey | SVHOVVJFOWGYJO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pentabromophenol (CAS 608-71-9), with molecular formula C6HBr5O and molecular weight 483.59 g/mol. IUPAC: 2,3,4,5,6-pentabromophenol.
Chemical Property Profile of Pentabromophenol
Property Insights of Pentabromophenol
The XLogP value of 5.0 indicates that Pentabromophenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, Pentabromophenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentabromophenol has 1 hydrogen bond donor(s) and 1 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 Pentabromophenol?
The CAS number of Pentabromophenol is 608-71-9.
What is the molecular formula of Pentabromophenol?
The molecular formula of Pentabromophenol is C6HBr5O.
What is the molecular weight of Pentabromophenol?
The molecular weight of Pentabromophenol is 483.59 g/mol.
Where can I buy Pentabromophenol?
You can request a quote for Pentabromophenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentabromophenol?
Yes, KEHONG BIO provides custom synthesis services for Pentabromophenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.