Dibenzo-18-crown-6 calcium complex
TL;DR: Dibenzo-18-crown-6 calcium complex (CAS 59307-28-7) is a chemical compound with molecular formula C20H24CaCl2O14 and molecular weight 598.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
calcium;2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaene;diperchlorate
Also Known As: Dibenzo-18-crown-6 calcium complex, Calcium(2+), (6,7,9,10,17,18,20,21-octahydrodibenzo(b,k)(1,4,7,10,13,16) hexaoxacyclooctadecin-O(sup 5),O(sup 8),O(sup 11),(sup 16),O(sup 19),O(sup 22))-diperchlorate, Calcium perchlorate--6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecine (1/2/1), RefChem:331601
| Molecular Formula | C20H24CaCl2O14 |
|---|---|
| Molecular Weight | 598.02 g/mol |
| LogP | -6.944 |
| Topological Polar Surface Area | 239.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 0 |
| Exact Mass | 598.0169 |
| Heavy Atoms | 37 |
| Complexity | 714.7816 |
Chemical Identifiers
| CAS Number | 59307-28-7 |
|---|---|
| SMILES | C1COC2=CC=CC=C2OCCOCCOC3=CC=CC=C3OCCO1.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Ca+2] |
Product Overview
Dibenzo-18-crown-6 calcium complex (CAS 59307-28-7), with molecular formula C20H24CaCl2O14 and molecular weight 598.02 g/mol. IUPAC: calcium;2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(26),9,11,13,22,24-hexaene;diperchlorate.
Chemical Property Profile of Dibenzo-18-crown-6 calcium complex
Property Insights of Dibenzo-18-crown-6 calcium complex
The XLogP value of -6.944 indicates that Dibenzo-18-crown-6 calcium complex is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 239.86 Ų indicates high polarity, suggesting Dibenzo-18-crown-6 calcium complex may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Dibenzo-18-crown-6 calcium complex has 0 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dibenzo-18-crown-6 calcium complex?
The CAS number of Dibenzo-18-crown-6 calcium complex is 59307-28-7.
What is the molecular formula of Dibenzo-18-crown-6 calcium complex?
The molecular formula of Dibenzo-18-crown-6 calcium complex is C20H24CaCl2O14.
What is the molecular weight of Dibenzo-18-crown-6 calcium complex?
The molecular weight of Dibenzo-18-crown-6 calcium complex is 598.02 g/mol.
Where can I buy Dibenzo-18-crown-6 calcium complex?
You can request a quote for Dibenzo-18-crown-6 calcium complex directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dibenzo-18-crown-6 calcium complex?
Yes, KEHONG BIO provides custom synthesis services for Dibenzo-18-crown-6 calcium complex and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.