1(3H)-Isobenzofuranone, 4,5,6,7-tetrabromo-3,3-bis(4-hydroxyphenyl)-
TL;DR: 1(3H)-Isobenzofuranone, 4,5,6,7-tetrabromo-3,3-bis(4-hydroxyphenyl)- (CAS 13027-28-6) is a chemical compound with molecular formula C20H10Br4O4 and molecular weight 629.73126 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4,5,6,7-tetrabromo-3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-one
Also Known As: 4,5,6,7-Tetrabromophenolphthalein, Phenoltetrabromophthalein, Tetrabromophthalein, 1(3H)-Isobenzofuranone, 4,5,6,7-tetrabromo-3,3-bis(4-hydroxyphenyl)-, 4,5,6,7-Tetrabromo-3,3-bis(4-hydroxyphenyl)isobenzofuran-1(3H)-one
Application Areas
Top 5 of 14 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C20H10Br4O4 |
| Molecular Weight | 629.73126 g/mol |
| XLogP | 6.6 |
| Topological Polar Surface Area (TPSA) | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 633.7272 Da |
| Heavy Atoms | 28 |
| Complexity | 567.0 |
| SMILES | C1=CC(=CC=C1C2(C3=C(C(=C(C(=C3Br)Br)Br)Br)C(=O)O2)C4=CC=C(C=C4)O)O |
| InChIKey | GNJLVMKERYSIAI-UHFFFAOYSA-N |
Chemical Property Profile of 1(3H)-Isobenzofuranone, 4,5,6,7-tetrabromo-3,3-bis(4-hydroxyphenyl)-
Property Insights of 1(3H)-Isobenzofuranone, 4,5,6,7-tetrabromo-3,3-bis(4-hydroxyphenyl)-
The XLogP value of 6.6 indicates that 1(3H)-Isobenzofuranone, 4,5,6,7-tetrabromo-3,3-bis(4-hydroxyphenyl)- 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 1(3H)-Isobenzofuranone, 4,5,6,7-tetrabromo-3,3-bis(4-hydroxyphenyl)-. Following Lipinski's Rule of Five, 1(3H)-Isobenzofuranone, 4,5,6,7-tetrabromo-3,3-bis(4-hydroxyphenyl)- has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 1(3H)-Isobenzofuranone, 4,5,6,7-tetrabromo-3,3-bis(4-hydroxyphenyl)-?
The CAS number of 1(3H)-Isobenzofuranone, 4,5,6,7-tetrabromo-3,3-bis(4-hydroxyphenyl)- is 13027-28-6.
What is the molecular formula of 1(3H)-Isobenzofuranone, 4,5,6,7-tetrabromo-3,3-bis(4-hydroxyphenyl)-?
The molecular formula of 1(3H)-Isobenzofuranone, 4,5,6,7-tetrabromo-3,3-bis(4-hydroxyphenyl)- is C20H10Br4O4.
What is the molecular weight of 1(3H)-Isobenzofuranone, 4,5,6,7-tetrabromo-3,3-bis(4-hydroxyphenyl)-?
The molecular weight of 1(3H)-Isobenzofuranone, 4,5,6,7-tetrabromo-3,3-bis(4-hydroxyphenyl)- is 629.73126 g/mol.
Where can I buy 1(3H)-Isobenzofuranone, 4,5,6,7-tetrabromo-3,3-bis(4-hydroxyphenyl)-?
You can request a quote for 1(3H)-Isobenzofuranone, 4,5,6,7-tetrabromo-3,3-bis(4-hydroxyphenyl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1(3H)-Isobenzofuranone, 4,5,6,7-tetrabromo-3,3-bis(4-hydroxyphenyl)-?
Yes, CoreyChem provides custom synthesis services for 1(3H)-Isobenzofuranone, 4,5,6,7-tetrabromo-3,3-bis(4-hydroxyphenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.