![4-Sulfocalix[6]arene Hydrate structure](/static/products/1020/102088-39-1.webp)
4-Sulfocalix[6]arene Hydrate
TL;DR: 4-Sulfocalix[6]arene Hydrate (CAS 102088-39-1) is a chemical compound with molecular formula C42H36O24S6 and molecular weight 1115.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
37,38,39,40,41,42-hexahydroxyheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3,5,7(42),9,11,13(41),15,17,19(40),21(39),22,24,27(38),28,30,33(37),34-octadecaene-5,11,17,23,29,35-hexasulfonic acid
Also Known As: 4-Sulfocalix[6]arene, 4-Sulfocalix[6]arene Hydrate, 4-Sulfocalix6arene, p-Sulfocalix[6]arene, p-sulfonatocalix[6]arene
| Molecular Formula | C42H36O24S6 |
|---|---|
| Molecular Weight | 1115.99 g/mol |
| LogP | 3.2586 |
| Topological Polar Surface Area | 447.6 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 6 |
| Exact Mass | 1115.9921 |
| Heavy Atoms | 72 |
| Complexity | 3219.3687 |
Chemical Identifiers
| CAS Number | 102088-39-1 |
|---|---|
| SMILES | C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=CC(=CC(=C4O)CC5=C(C(=CC(=C5)S(=O)(=O)O)CC6=C(C(=CC(=C6)S(=O)(=O)O)CC7=C(C1=CC(=C7)S(=O)(=O)O)O)O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O |
Product Overview
4-Sulfocalix[6]arene Hydrate (CAS 102088-39-1), with molecular formula C42H36O24S6 and molecular weight 1115.99 g/mol. IUPAC: 37,38,39,40,41,42-hexahydroxyheptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(36),3,5,7(42),9,11,13(41),15,17,19(40),21(39),22,24,27(38),28,30,33(37),34-octadecaene-5,11,17,23,29,35-hexasulfonic acid.
Chemical Property Profile of 4-Sulfocalix[6]arene Hydrate
Property Insights of 4-Sulfocalix[6]arene Hydrate
The XLogP value of 3.2586 indicates that 4-Sulfocalix[6]arene Hydrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 447.6 Ų indicates high polarity, suggesting 4-Sulfocalix[6]arene Hydrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-Sulfocalix[6]arene Hydrate has 12 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Sulfocalix[6]arene Hydrate?
The CAS number of 4-Sulfocalix[6]arene Hydrate is 102088-39-1.
What is the molecular formula of 4-Sulfocalix[6]arene Hydrate?
The molecular formula of 4-Sulfocalix[6]arene Hydrate is C42H36O24S6.
What is the molecular weight of 4-Sulfocalix[6]arene Hydrate?
The molecular weight of 4-Sulfocalix[6]arene Hydrate is 1115.99 g/mol.
Where can I buy 4-Sulfocalix[6]arene Hydrate?
You can request a quote for 4-Sulfocalix[6]arene Hydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Sulfocalix[6]arene Hydrate?
Yes, KEHONG BIO provides custom synthesis services for 4-Sulfocalix[6]arene Hydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.