![p-t-Octylcalix[5]arene structure](/static/products/138/138452-84-3.png)
p-t-Octylcalix[5]arene
TL;DR: p-t-Octylcalix[5]arene (CAS 138452-84-3) is a chemical compound with molecular formula C75H110O5 and molecular weight 1090.84 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,11,17,23,29-pentakis(2,4,4-trimethylpentan-2-yl)hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3,5,7(35),9,11,13(34),15,17,19(33),21(32),22,24,27(31),28-pentadecaene-31,32,33,34,35-pentol
Also Known As: p-t-octylcalix[5]arene, p-tert-Octylcalix[5]arene, NCI60_011516, pentakis(1,1,3,3-tetramethylbutyl)[?]pentol, 5,11,17,23,29-Pentakis(1,1,3,3-tetramethylbutyl)hexacyclo[25.3.1.1~3,7~.1~9,13~.1~15,19~.1~21,25~]pentatriaconta-1(31),3(35),4,6,9(34),10,12,15(33),16,18,21(32),22,24,27,29-pentadecaene-31,32,33,34,35-pentol
| Molecular Formula | C75H110O5 |
|---|---|
| Molecular Weight | 1090.84 g/mol |
| LogP | 24.8 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 15 |
| Exact Mass | 1090.8353 |
| Heavy Atoms | 80 |
| Complexity | 1570.0 |
Chemical Identifiers
| CAS Number | 138452-84-3 |
|---|---|
| SMILES | CC(C)(C)CC(C)(C)C1=CC2=C(C(=C1)CC3=CC(=CC(=C3O)CC4=CC(=CC(=C4O)CC5=C(C(=CC(=C5)C(C)(C)CC(C)(C)C)CC6=C(C(=CC(=C6)C(C)(C)CC(C)(C)C)C2)O)O)C(C)(C)CC(C)(C)C)C(C)(C)CC(C)(C)C)O |
| InChIKey | VOYSOXGRCXMILG-UHFFFAOYSA-N |
Product Overview
p-t-Octylcalix[5]arene (CAS 138452-84-3), with molecular formula C75H110O5 and molecular weight 1090.84 g/mol. IUPAC: 5,11,17,23,29-pentakis(2,4,4-trimethylpentan-2-yl)hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3,5,7(35),9,11,13(34),15,17,19(33),21(32),22,24,27(31),28-pentadecaene-31,32,33,34,35-pentol.
Chemical Property Profile of p-t-Octylcalix[5]arene
Property Insights of p-t-Octylcalix[5]arene
The XLogP value of 24.8 indicates that p-t-Octylcalix[5]arene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for p-t-Octylcalix[5]arene. Following Lipinski's Rule of Five, p-t-Octylcalix[5]arene has 5 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of p-t-Octylcalix[5]arene?
The CAS number of p-t-Octylcalix[5]arene is 138452-84-3.
What is the molecular formula of p-t-Octylcalix[5]arene?
The molecular formula of p-t-Octylcalix[5]arene is C75H110O5.
What is the molecular weight of p-t-Octylcalix[5]arene?
The molecular weight of p-t-Octylcalix[5]arene is 1090.84 g/mol.
Where can I buy p-t-Octylcalix[5]arene?
You can request a quote for p-t-Octylcalix[5]arene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for p-t-Octylcalix[5]arene?
Yes, KEHONG BIO provides custom synthesis services for p-t-Octylcalix[5]arene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.