Thymolphthalein
TL;DR: Thymolphthalein (CAS 125-20-2) is a chemical compound with molecular formula C28H30O4 and molecular weight 430.21442 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,3-bis(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-benzofuran-1-one
Also Known As: THYMOLPHTHALEIN, Thymophthalein, thymolphthaleine, Thymolphthalein ACS, Thymol phenolphthalein
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C28H30O4 |
| Molecular Weight | 430.21442 g/mol |
| XLogP | 6.8 |
| Topological Polar Surface Area (TPSA) | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 430.21442 Da |
| Heavy Atoms | 32 |
| Complexity | 636.0 |
| SMILES | CC1=CC(=C(C=C1C2(C3=CC=CC=C3C(=O)O2)C4=CC(=C(C=C4C)O)C(C)C)C(C)C)O |
| InChIKey | LDKDGDIWEUUXSH-UHFFFAOYSA-N |
Chemical Property Profile of Thymolphthalein
Property Insights of Thymolphthalein
The XLogP value of 6.8 indicates that Thymolphthalein 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 Thymolphthalein. Following Lipinski's Rule of Five, Thymolphthalein 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 Thymolphthalein?
The CAS number of Thymolphthalein is 125-20-2.
What is the molecular formula of Thymolphthalein?
The molecular formula of Thymolphthalein is C28H30O4.
What is the molecular weight of Thymolphthalein?
The molecular weight of Thymolphthalein is 430.21442 g/mol.
Where can I buy Thymolphthalein?
You can request a quote for Thymolphthalein directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Thymolphthalein?
Yes, CoreyChem provides custom synthesis services for Thymolphthalein and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.