1,4-Benzenediol, 2-(1,1-dimethylethyl)-, 4,4',4''-phosphate
TL;DR: 1,4-Benzenediol, 2-(1,1-dimethylethyl)-, 4,4',4''-phosphate (CAS 21214-39-1) is a chemical compound with molecular formula C30H39O7P and molecular weight 542.24335 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tris(3-tert-butyl-4-hydroxyphenyl) phosphate
Also Known As: Tris phosphate, Tris(3-tert-butyl-4-hydroxyphenyl) phosphate, 1,4-Benzenediol, 2-(1,1-dimethylethyl)-, 4,4',4''-phosphate, Phosphoric acid tris[4-hydroxy-3-(1,1-dimethylethyl)phenyl] ester, 244-275-7
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C30H39O7P |
| Molecular Weight | 542.24335 g/mol |
| XLogP | 8.9 |
| Topological Polar Surface Area (TPSA) | 105.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 542.24335 Da |
| Heavy Atoms | 38 |
| Complexity | 706.0 |
| SMILES | CC(C)(C)C1=C(C=CC(=C1)OP(=O)(OC2=CC(=C(C=C2)O)C(C)(C)C)OC3=CC(=C(C=C3)O)C(C)(C)C)O |
| InChIKey | KNZZERRHIZAXIQ-UHFFFAOYSA-N |
Chemical Property Profile of 1,4-Benzenediol, 2-(1,1-dimethylethyl)-, 4,4',4''-phosphate
Property Insights of 1,4-Benzenediol, 2-(1,1-dimethylethyl)-, 4,4',4''-phosphate
The XLogP value of 8.9 indicates that 1,4-Benzenediol, 2-(1,1-dimethylethyl)-, 4,4',4''-phosphate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Benzenediol, 2-(1,1-dimethylethyl)-, 4,4',4''-phosphate. Following Lipinski's Rule of Five, 1,4-Benzenediol, 2-(1,1-dimethylethyl)-, 4,4',4''-phosphate has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 1,4-Benzenediol, 2-(1,1-dimethylethyl)-, 4,4',4''-phosphate?
The CAS number of 1,4-Benzenediol, 2-(1,1-dimethylethyl)-, 4,4',4''-phosphate is 21214-39-1.
What is the molecular formula of 1,4-Benzenediol, 2-(1,1-dimethylethyl)-, 4,4',4''-phosphate?
The molecular formula of 1,4-Benzenediol, 2-(1,1-dimethylethyl)-, 4,4',4''-phosphate is C30H39O7P.
What is the molecular weight of 1,4-Benzenediol, 2-(1,1-dimethylethyl)-, 4,4',4''-phosphate?
The molecular weight of 1,4-Benzenediol, 2-(1,1-dimethylethyl)-, 4,4',4''-phosphate is 542.24335 g/mol.
Where can I buy 1,4-Benzenediol, 2-(1,1-dimethylethyl)-, 4,4',4''-phosphate?
You can request a quote for 1,4-Benzenediol, 2-(1,1-dimethylethyl)-, 4,4',4''-phosphate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,4-Benzenediol, 2-(1,1-dimethylethyl)-, 4,4',4''-phosphate?
Yes, CoreyChem provides custom synthesis services for 1,4-Benzenediol, 2-(1,1-dimethylethyl)-, 4,4',4''-phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.