Tetrabromophenolphthalein
TL;DR: Tetrabromophenolphthalein (CAS 76-62-0) is a chemical compound with molecular formula C20H10Br4O4 and molecular weight 629.73 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-bis(3,5-dibromo-4-hydroxyphenyl)-2-benzofuran-1-one
Also Known As: Tetrabromophenolphthalein, Tetbrothalein, 3',3'',5',5''-Tetrabromophenolphthalein, Phenol tetrabromophthalein, Phenolphthalein, tetrabromo-
| Molecular Formula | C20H10Br4O4 |
|---|---|
| Molecular Weight | 629.73 g/mol |
| LogP | 6.4 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 633.7272 |
| Heavy Atoms | 28 |
| Complexity | 551.0 |
Chemical Identifiers
| CAS Number | 76-62-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)OC2(C3=CC(=C(C(=C3)Br)O)Br)C4=CC(=C(C(=C4)Br)O)Br |
| InChIKey | OBRGVMYQZVQHGO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tetrabromophenolphthalein (CAS 76-62-0), with molecular formula C20H10Br4O4 and molecular weight 629.73 g/mol. IUPAC: 3,3-bis(3,5-dibromo-4-hydroxyphenyl)-2-benzofuran-1-one.
Chemical Property Profile of Tetrabromophenolphthalein
Property Insights of Tetrabromophenolphthalein
The XLogP value of 6.4 indicates that Tetrabromophenolphthalein is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Tetrabromophenolphthalein. Following Lipinski's Rule of Five, Tetrabromophenolphthalein has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Tetrabromophenolphthalein?
The CAS number of Tetrabromophenolphthalein is 76-62-0.
What is the molecular formula of Tetrabromophenolphthalein?
The molecular formula of Tetrabromophenolphthalein is C20H10Br4O4.
What is the molecular weight of Tetrabromophenolphthalein?
The molecular weight of Tetrabromophenolphthalein is 629.73 g/mol.
Where can I buy Tetrabromophenolphthalein?
You can request a quote for Tetrabromophenolphthalein directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tetrabromophenolphthalein?
Yes, KEHONG BIO provides custom synthesis services for Tetrabromophenolphthalein and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.