![p-tert-Butylcalix[7]arene structure](/static/products/841/84161-29-5.png)
p-tert-Butylcalix[7]arene
TL;DR: p-tert-Butylcalix[7]arene (CAS 84161-29-5) is a chemical compound with molecular formula C77H98O7 and molecular weight 1134.73 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,11,17,23,29,35,41-heptatert-butyloctacyclo[37.3.1.13,7.19,13.115,19.121,25.127,31.133,37]nonatetraconta-1(42),3,5,7(49),9,11,13(48),15,17,19(47),21,23,25(46),27(45),28,30,33(44),34,36,39(43),40-henicosaene-43,44,45,46,47,48,49-heptol
Also Known As: p-tert-Butylcalix[7]arene, para-tert-butylcalix[7]arene, 4-TERT-BUTYLCALIX(7)ARENE, 4-phenylphenoxyacetic acid hydrazide, J1.773.564K
| Molecular Formula | C77H98O7 |
|---|---|
| Molecular Weight | 1134.73 g/mol |
| LogP | 18.1573 |
| Topological Polar Surface Area | 141.61 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 0 |
| Exact Mass | 1134.7312 |
| Heavy Atoms | 84 |
| Complexity | 2841.288 |
Chemical Identifiers
| CAS Number | 84161-29-5 |
|---|---|
| SMILES | CC(C)(C)C1=CC2=C(C(=C1)CC3=CC(=CC(=C3O)CC4=CC(=CC(=C4O)CC5=CC(=CC(=C5O)CC6=C(C(=CC(=C6)C(C)(C)C)CC7=C(C(=CC(=C7)C(C)(C)C)CC8=C(C(=CC(=C8)C(C)(C)C)C2)O)O)O)C(C)(C)C)C(C)(C)C)C(C)(C)C)O |
Product Overview
p-tert-Butylcalix[7]arene (CAS 84161-29-5), with molecular formula C77H98O7 and molecular weight 1134.73 g/mol. IUPAC: 5,11,17,23,29,35,41-heptatert-butyloctacyclo[37.3.1.13,7.19,13.115,19.121,25.127,31.133,37]nonatetraconta-1(42),3,5,7(49),9,11,13(48),15,17,19(47),21,23,25(46),27(45),28,30,33(44),34,36,39(43),40-henicosaene-43,44,45,46,47,48,49-heptol.
Chemical Property Profile of p-tert-Butylcalix[7]arene
Property Insights of p-tert-Butylcalix[7]arene
The XLogP value of 18.1573 indicates that p-tert-Butylcalix[7]arene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 141.61 Ų indicates high polarity, suggesting p-tert-Butylcalix[7]arene may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, p-tert-Butylcalix[7]arene has 7 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 p-tert-Butylcalix[7]arene?
The CAS number of p-tert-Butylcalix[7]arene is 84161-29-5.
What is the molecular formula of p-tert-Butylcalix[7]arene?
The molecular formula of p-tert-Butylcalix[7]arene is C77H98O7.
What is the molecular weight of p-tert-Butylcalix[7]arene?
The molecular weight of p-tert-Butylcalix[7]arene is 1134.73 g/mol.
Where can I buy p-tert-Butylcalix[7]arene?
You can request a quote for p-tert-Butylcalix[7]arene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-tert-Butylcalix[7]arene?
Yes, KEHONG BIO provides custom synthesis services for p-tert-Butylcalix[7]arene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.