Calixarene
TL;DR: Calixarene (CAS 97600-40-3) is a chemical compound with molecular formula C56H72O12 and molecular weight 936.50 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[5,11,17,23-tetratert-butyl-26,27,28-tris(2-methoxy-2-oxoethoxy)-25-pentacyclo[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-dodecaenyl]oxy]acetate
Also Known As: Calixarene, Calixarenes, Calix(n)Arenes, 2-Formylcinnamic acid, 6354-EP2315303A1
| Molecular Formula | C56H72O12 |
|---|---|
| Molecular Weight | 936.50 g/mol |
| LogP | 9.7604 |
| Topological Polar Surface Area | 142.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 12 |
| Exact Mass | 936.5024 |
| Heavy Atoms | 68 |
| Complexity | 2078.082 |
Chemical Identifiers
| CAS Number | 97600-40-3 |
|---|---|
| SMILES | CC(C)(C)C1=CC2=C(C(=C1)CC3=CC(=CC(=C3OCC(=O)OC)CC4=CC(=CC(=C4OCC(=O)OC)CC5=C(C(=CC(=C5)C(C)(C)C)C2)OCC(=O)OC)C(C)(C)C)C(C)(C)C)OCC(=O)OC |
Product Overview
Calixarene (CAS 97600-40-3), with molecular formula C56H72O12 and molecular weight 936.50 g/mol. IUPAC: methyl 2-[[5,11,17,23-tetratert-butyl-26,27,28-tris(2-methoxy-2-oxoethoxy)-25-pentacyclo[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-dodecaenyl]oxy]acetate.
Chemical Property Profile of Calixarene
Property Insights of Calixarene
The XLogP value of 9.7604 indicates that Calixarene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 142.12 Ų indicates high polarity, suggesting Calixarene may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Calixarene has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Calixarene?
The CAS number of Calixarene is 97600-40-3.
What is the molecular formula of Calixarene?
The molecular formula of Calixarene is C56H72O12.
What is the molecular weight of Calixarene?
The molecular weight of Calixarene is 936.50 g/mol.
Where can I buy Calixarene?
You can request a quote for Calixarene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Calixarene?
Yes, KEHONG BIO provides custom synthesis services for Calixarene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.