![4-tert-Butyldihomooxacalix[4]arene structure](/static/products/722/72251-68-4.png)
4-tert-Butyldihomooxacalix[4]arene
TL;DR: 4-tert-Butyldihomooxacalix[4]arene (CAS 72251-68-4) is a chemical compound with molecular formula C45H58O5 and molecular weight 678.43 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,11,17,25-tetratert-butyl-21-oxapentacyclo[21.3.1.13,7.19,13.115,19]triaconta-1(27),3,5,7(30),9(29),10,12,15(28),16,18,23,25-dodecaene-27,28,29,30-tetrol
Also Known As: 4-tert-Butyldihomooxacalix[4]arene, 4-TERT-BUTYLDIHOMOOXACALIX[4!ARENE, I14-59865, 5,11,17,25-Tetratert-butyl-21-oxapentacyclo[21.3.1.13,7.19,13.115,19]triaconta-1(27),3,5,7(30),9(29),10,12,15(28),16,18,23,25-dodecaene-27,28,29,30-tetrol, 2,6 -Methylene-2 ,6 -methylene-2 ,6 -methylene-2 ,6-(oxybismethylene)tetrakis(4-tert-butylphenol)
| Molecular Formula | C45H58O5 |
|---|---|
| Molecular Weight | 678.43 g/mol |
| LogP | 10.5016 |
| Topological Polar Surface Area | 90.15 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 678.4284 |
| Heavy Atoms | 50 |
| Complexity | 1781.2454 |
Chemical Identifiers
| CAS Number | 72251-68-4 |
|---|---|
| SMILES | CC(C)(C)C1=CC2=C(C(=C1)CC3=C(C(=CC(=C3)C(C)(C)C)COCC4=CC(=CC(=C4O)CC5=CC(=CC(=C5O)C2)C(C)(C)C)C(C)(C)C)O)O |
Product Overview
4-tert-Butyldihomooxacalix[4]arene (CAS 72251-68-4), with molecular formula C45H58O5 and molecular weight 678.43 g/mol. IUPAC: 5,11,17,25-tetratert-butyl-21-oxapentacyclo[21.3.1.13,7.19,13.115,19]triaconta-1(27),3,5,7(30),9(29),10,12,15(28),16,18,23,25-dodecaene-27,28,29,30-tetrol.
Chemical Property Profile of 4-tert-Butyldihomooxacalix[4]arene
Property Insights of 4-tert-Butyldihomooxacalix[4]arene
The XLogP value of 10.5016 indicates that 4-tert-Butyldihomooxacalix[4]arene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.15 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-tert-Butyldihomooxacalix[4]arene. Following Lipinski's Rule of Five, 4-tert-Butyldihomooxacalix[4]arene has 4 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 4-tert-Butyldihomooxacalix[4]arene?
The CAS number of 4-tert-Butyldihomooxacalix[4]arene is 72251-68-4.
What is the molecular formula of 4-tert-Butyldihomooxacalix[4]arene?
The molecular formula of 4-tert-Butyldihomooxacalix[4]arene is C45H58O5.
What is the molecular weight of 4-tert-Butyldihomooxacalix[4]arene?
The molecular weight of 4-tert-Butyldihomooxacalix[4]arene is 678.43 g/mol.
Where can I buy 4-tert-Butyldihomooxacalix[4]arene?
You can request a quote for 4-tert-Butyldihomooxacalix[4]arene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-tert-Butyldihomooxacalix[4]arene?
Yes, KEHONG BIO provides custom synthesis services for 4-tert-Butyldihomooxacalix[4]arene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.