Phenoltetrachlorophthalein
TL;DR: Phenoltetrachlorophthalein (CAS 639-44-1) is a chemical compound with molecular formula C20H10Cl4O4 and molecular weight 453.93332 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4,5,6,7-tetrachloro-3,3-bis(4-hydroxyphenyl)-2-benzofuran-1-one
Also Known As: Phenoltetrachlorophthalein, 4,5,6,7-Tetrachlorophenolphthalein, 3,4,5,6-tetrachlorophenolphthalein, 4,5,6,7-Tetrachloro-3,3-bis(4-hydroxyphenyl)phthalide, PHENOLTETRACHLOROPHTHALEIN [MI]
Application Areas
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C20H10Cl4O4 |
| Molecular Weight | 453.93332 g/mol |
| XLogP | 6.3 |
| Topological Polar Surface Area (TPSA) | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 455.93036 Da |
| Heavy Atoms | 28 |
| Complexity | 567.0 |
| SMILES | C1=CC(=CC=C1C2(C3=C(C(=C(C(=C3Cl)Cl)Cl)Cl)C(=O)O2)C4=CC=C(C=C4)O)O |
| InChIKey | NPARLLRHBQQQDY-UHFFFAOYSA-N |
Chemical Property Profile of Phenoltetrachlorophthalein
Property Insights of Phenoltetrachlorophthalein
The XLogP value of 6.3 indicates that Phenoltetrachlorophthalein 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 Phenoltetrachlorophthalein. Following Lipinski's Rule of Five, Phenoltetrachlorophthalein 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 Phenoltetrachlorophthalein?
The CAS number of Phenoltetrachlorophthalein is 639-44-1.
What is the molecular formula of Phenoltetrachlorophthalein?
The molecular formula of Phenoltetrachlorophthalein is C20H10Cl4O4.
What is the molecular weight of Phenoltetrachlorophthalein?
The molecular weight of Phenoltetrachlorophthalein is 453.93332 g/mol.
Where can I buy Phenoltetrachlorophthalein?
You can request a quote for Phenoltetrachlorophthalein directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Phenoltetrachlorophthalein?
Yes, CoreyChem provides custom synthesis services for Phenoltetrachlorophthalein and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.