Tetrabromophenol blue
TL;DR: Tetrabromophenol blue (CAS 4430-25-5) is a chemical compound with molecular formula C19H6Br8O5S and molecular weight 977.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-dibromo-4-[4,5,6,7-tetrabromo-3-(3,5-dibromo-4-hydroxyphenyl)-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]phenol
Also Known As: Tetrabromophenol blue, Tetrabromphenolblau, TBPB, Tetrabromphenol Blue, Tetrabromophenyl blue
| Molecular Formula | C19H6Br8O5S |
|---|---|
| Molecular Weight | 977.34 g/mol |
| LogP | 8.8 |
| Topological Polar Surface Area | 92.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 985.3321 |
| Heavy Atoms | 33 |
| Complexity | 791.0 |
Chemical Identifiers
| CAS Number | 4430-25-5 |
|---|---|
| SMILES | C1=C(C=C(C(=C1Br)O)Br)C2(C3=C(C(=C(C(=C3Br)Br)Br)Br)S(=O)(=O)O2)C4=CC(=C(C(=C4)Br)O)Br |
| InChIKey | QPMIVFWZGPTDPN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tetrabromophenol blue (CAS 4430-25-5), with molecular formula C19H6Br8O5S and molecular weight 977.34 g/mol. IUPAC: 2,6-dibromo-4-[4,5,6,7-tetrabromo-3-(3,5-dibromo-4-hydroxyphenyl)-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]phenol.
Chemical Property Profile of Tetrabromophenol blue
Property Insights of Tetrabromophenol blue
The XLogP value of 8.8 indicates that Tetrabromophenol blue is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Tetrabromophenol blue. Following Lipinski's Rule of Five, Tetrabromophenol blue has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Tetrabromophenol blue?
The CAS number of Tetrabromophenol blue is 4430-25-5.
What is the molecular formula of Tetrabromophenol blue?
The molecular formula of Tetrabromophenol blue is C19H6Br8O5S.
What is the molecular weight of Tetrabromophenol blue?
The molecular weight of Tetrabromophenol blue is 977.34 g/mol.
Where can I buy Tetrabromophenol blue?
You can request a quote for Tetrabromophenol blue directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tetrabromophenol blue?
Yes, KEHONG BIO provides custom synthesis services for Tetrabromophenol blue and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.