1,4-Benzenediol, 2,6-bis(1,1-dimethylethyl)-, 4,4',4''-phosphate
TL;DR: 1,4-Benzenediol, 2,6-bis(1,1-dimethylethyl)-, 4,4',4''-phosphate (CAS 17709-43-2) is a chemical compound with molecular formula C42H63O7P and molecular weight 710.43 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tris(3,5-ditert-butyl-4-hydroxyphenyl) phosphate
Also Known As: Antioxidant 796, tris(3,5-ditert-butyl-4-hydroxyphenyl) phosphate, tris(3,5-di-tert-butyl-4-hydroxyphenyl) phosphate, 1,4-Benzenediol, 2,6-bis(1,1-dimethylethyl)-, 4,4',4''-phosphate, 2'-Deoxy-5'-O-DMT-2'-fluorocytidine
| Molecular Formula | C42H63O7P |
|---|---|
| Molecular Weight | 710.43 g/mol |
| LogP | 13.9 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 12 |
| Exact Mass | 710.43115 |
| Heavy Atoms | 50 |
| Complexity | 943.0 |
Chemical Identifiers
| CAS Number | 17709-43-2 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)OP(=O)(OC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C)OC3=CC(=C(C(=C3)C(C)(C)C)O)C(C)(C)C |
| InChIKey | HOQYYGLJPAIXDU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-Benzenediol, 2,6-bis(1,1-dimethylethyl)-, 4,4',4''-phosphate (CAS 17709-43-2), with molecular formula C42H63O7P and molecular weight 710.43 g/mol. IUPAC: tris(3,5-ditert-butyl-4-hydroxyphenyl) phosphate.
Chemical Property Profile of 1,4-Benzenediol, 2,6-bis(1,1-dimethylethyl)-, 4,4',4''-phosphate
Property Insights of 1,4-Benzenediol, 2,6-bis(1,1-dimethylethyl)-, 4,4',4''-phosphate
The XLogP value of 13.9 indicates that 1,4-Benzenediol, 2,6-bis(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, 2,6-bis(1,1-dimethylethyl)-, 4,4',4''-phosphate. Following Lipinski's Rule of Five, 1,4-Benzenediol, 2,6-bis(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
Frequently Asked Questions
What is the CAS number of 1,4-Benzenediol, 2,6-bis(1,1-dimethylethyl)-, 4,4',4''-phosphate?
The CAS number of 1,4-Benzenediol, 2,6-bis(1,1-dimethylethyl)-, 4,4',4''-phosphate is 17709-43-2.
What is the molecular formula of 1,4-Benzenediol, 2,6-bis(1,1-dimethylethyl)-, 4,4',4''-phosphate?
The molecular formula of 1,4-Benzenediol, 2,6-bis(1,1-dimethylethyl)-, 4,4',4''-phosphate is C42H63O7P.
What is the molecular weight of 1,4-Benzenediol, 2,6-bis(1,1-dimethylethyl)-, 4,4',4''-phosphate?
The molecular weight of 1,4-Benzenediol, 2,6-bis(1,1-dimethylethyl)-, 4,4',4''-phosphate is 710.43 g/mol.
Where can I buy 1,4-Benzenediol, 2,6-bis(1,1-dimethylethyl)-, 4,4',4''-phosphate?
You can request a quote for 1,4-Benzenediol, 2,6-bis(1,1-dimethylethyl)-, 4,4',4''-phosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Benzenediol, 2,6-bis(1,1-dimethylethyl)-, 4,4',4''-phosphate?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Benzenediol, 2,6-bis(1,1-dimethylethyl)-, 4,4',4''-phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.