![4-tert-Butylcalix[4]arene tribenzoate structure](/static/products/1355/135549-06-3.webp)
4-tert-Butylcalix[4]arene tribenzoate
TL;DR: 4-tert-Butylcalix[4]arene tribenzoate (CAS 135549-06-3) is a chemical compound with molecular formula C65H68O7 and molecular weight 960.4965 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(26,27-dibenzoyloxy-5,11,17,23-tetratert-butyl-28-hydroxy-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl) benzoate
Also Known As: 4-tert-Butylcalix[4]arene tribenzoate, F1170-0211, (26,27-Dibenzoyloxy-5,11,17,23-tetratert-butyl-28-hydroxy-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl) benzoate, 1~5~,3~5~,5~5~,7~5~-Tetra-tert-butyl-7~2~-hydroxy-1,3,5,7(1,3)-tetrabenzenacyclooctaphane-1~2~,3~2~,5~2~-triyl tribenzoate, 15,35,55,75-Tetra-tert-butyl-72-hydroxy-1,3,5,7(1,3)-tetrabenzenacyclooctaphane-12,32,52-triyl tribenzoate stereoisomer
Technical Specifications
| Molecular Formula | C65H68O7 |
| Molecular Weight | 960.4965 g/mol |
| XLogP | 18.2 |
| Topological Polar Surface Area (TPSA) | 99.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 13 |
| Exact Mass | 960.4965 Da |
| Heavy Atoms | 72 |
| Complexity | 1680.0 |
| SMILES | CC(C)(C)C1=CC2=C(C(=C1)CC3=CC(=CC(=C3OC(=O)C4=CC=CC=C4)CC5=CC(=CC(=C5OC(=O)C6=CC=CC=C6)CC7=C(C(=CC(=C7)C(C)(C)C)C2)O)C(C)(C)C)C(C)(C)C)OC(=O)C8=CC=CC=C8 |
| InChIKey | NCZNYSJLIGBKFO-UHFFFAOYSA-N |
Chemical Property Profile of 4-tert-Butylcalix[4]arene tribenzoate
Property Insights of 4-tert-Butylcalix[4]arene tribenzoate
The XLogP value of 18.2 indicates that 4-tert-Butylcalix[4]arene tribenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-tert-Butylcalix[4]arene tribenzoate. Following Lipinski's Rule of Five, 4-tert-Butylcalix[4]arene tribenzoate has 1 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 4-tert-Butylcalix[4]arene tribenzoate?
The CAS number of 4-tert-Butylcalix[4]arene tribenzoate is 135549-06-3.
What is the molecular formula of 4-tert-Butylcalix[4]arene tribenzoate?
The molecular formula of 4-tert-Butylcalix[4]arene tribenzoate is C65H68O7.
What is the molecular weight of 4-tert-Butylcalix[4]arene tribenzoate?
The molecular weight of 4-tert-Butylcalix[4]arene tribenzoate is 960.4965 g/mol.
Where can I buy 4-tert-Butylcalix[4]arene tribenzoate?
You can request a quote for 4-tert-Butylcalix[4]arene tribenzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-tert-Butylcalix[4]arene tribenzoate?
Yes, CoreyChem provides custom synthesis services for 4-tert-Butylcalix[4]arene tribenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.