1,3-Dimethoxy-4-tert-butylcalix(4)arene
TL;DR: 1,3-Dimethoxy-4-tert-butylcalix(4)arene (CAS 122406-45-5) is a chemical compound with molecular formula C46H60O4 and molecular weight 676.45 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,11,17,23-tetratert-butyl-26,28-dimethoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,27-diol
Also Known As: 1,3-DIMETHOXY-4-TERT-BUTYLCALIX(4)ARENE, ?1,3-Dimethoxy-4-tert-butylcalix[4]arene, 1,3-DIMETHOXY-4-TERT-BUTYLCALIX[4]ARENE, 15,35,55,75-Tetra-tert-butyl-32,72-dimethoxy-1,3,5,7(1,3)-tetrabenzenacyclooctaphane-12,52-diol, 1,3-Dimethoxy-2,4-dihydroxy-tert-butylcalix[4]arene
| Molecular Formula | C46H60O4 |
|---|---|
| Molecular Weight | 676.45 g/mol |
| LogP | 10.9816 |
| Topological Polar Surface Area | 58.92 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 676.44916 |
| Heavy Atoms | 50 |
| Complexity | 1678.9045 |
Chemical Identifiers
| CAS Number | 122406-45-5 |
|---|---|
| SMILES | CC(C)(C)C1=CC2=C(C(=C1)CC3=CC(=CC(=C3OC)CC4=CC(=CC(=C4O)CC5=C(C(=CC(=C5)C(C)(C)C)C2)OC)C(C)(C)C)C(C)(C)C)O |
Product Overview
1,3-Dimethoxy-4-tert-butylcalix(4)arene (CAS 122406-45-5), with molecular formula C46H60O4 and molecular weight 676.45 g/mol. IUPAC: 5,11,17,23-tetratert-butyl-26,28-dimethoxypentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,27-diol.
Chemical Property Profile of 1,3-Dimethoxy-4-tert-butylcalix(4)arene
Property Insights of 1,3-Dimethoxy-4-tert-butylcalix(4)arene
The XLogP value of 10.9816 indicates that 1,3-Dimethoxy-4-tert-butylcalix(4)arene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.92 Ų, 1,3-Dimethoxy-4-tert-butylcalix(4)arene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dimethoxy-4-tert-butylcalix(4)arene has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,3-Dimethoxy-4-tert-butylcalix(4)arene?
The CAS number of 1,3-Dimethoxy-4-tert-butylcalix(4)arene is 122406-45-5.
What is the molecular formula of 1,3-Dimethoxy-4-tert-butylcalix(4)arene?
The molecular formula of 1,3-Dimethoxy-4-tert-butylcalix(4)arene is C46H60O4.
What is the molecular weight of 1,3-Dimethoxy-4-tert-butylcalix(4)arene?
The molecular weight of 1,3-Dimethoxy-4-tert-butylcalix(4)arene is 676.45 g/mol.
Where can I buy 1,3-Dimethoxy-4-tert-butylcalix(4)arene?
You can request a quote for 1,3-Dimethoxy-4-tert-butylcalix(4)arene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dimethoxy-4-tert-butylcalix(4)arene?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dimethoxy-4-tert-butylcalix(4)arene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.