Tetrabromophenolphthalein ethyl ester
TL;DR: Tetrabromophenolphthalein ethyl ester (CAS 1176-74-5) is a chemical compound with molecular formula C22H14Br4O4 and molecular weight 657.76 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(3,5-dibromo-4-hydroxyphenyl)-(3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzoate
Also Known As: Tetrabromophenolphthalein ethyl ester, Bromophthalein Magenta E, Ethyl tetrabromophenolphthalein, Chromoionophore VIII, TBPE
| Molecular Formula | C22H14Br4O4 |
|---|---|
| Molecular Weight | 657.76 g/mol |
| LogP | 7.6 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 661.7585 |
| Heavy Atoms | 30 |
| Complexity | 752.0 |
| Melting Point | 210 °C |
Chemical Identifiers
| CAS Number | 1176-74-5 |
|---|---|
| SMILES | CCOC(=O)C1=CC=CC=C1C(=C2C=C(C(=O)C(=C2)Br)Br)C3=CC(=C(C(=C3)Br)O)Br |
| InChIKey | SQFXATUXPUCFFO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tetrabromophenolphthalein ethyl ester (CAS 1176-74-5), with molecular formula C22H14Br4O4 and molecular weight 657.76 g/mol. IUPAC: ethyl 2-[(3,5-dibromo-4-hydroxyphenyl)-(3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzoate.
Chemical Property Profile of Tetrabromophenolphthalein ethyl ester
Property Insights of Tetrabromophenolphthalein ethyl ester
The XLogP value of 7.6 indicates that Tetrabromophenolphthalein ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Tetrabromophenolphthalein ethyl ester. Following Lipinski's Rule of Five, Tetrabromophenolphthalein ethyl ester has 1 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 ethyl ester?
The CAS number of Tetrabromophenolphthalein ethyl ester is 1176-74-5.
What is the molecular formula of Tetrabromophenolphthalein ethyl ester?
The molecular formula of Tetrabromophenolphthalein ethyl ester is C22H14Br4O4.
What is the molecular weight of Tetrabromophenolphthalein ethyl ester?
The molecular weight of Tetrabromophenolphthalein ethyl ester is 657.76 g/mol.
Where can I buy Tetrabromophenolphthalein ethyl ester?
You can request a quote for Tetrabromophenolphthalein ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tetrabromophenolphthalein ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Tetrabromophenolphthalein ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.