1-Adamantylphosphonyldibenzo-17-crown-6 calcium complex
TL;DR: 1-Adamantylphosphonyldibenzo-17-crown-6 calcium complex (CAS 136370-89-3) is a chemical compound with molecular formula C56H72CaCl2N2O22P2 and molecular weight 1296.3055 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
calcium;bis(N-(1-adamantyl)-3-oxo-2,4,11,14,17,20-hexaoxa-3λ5-phosphatricyclo[19.4.0.05,10]pentacosa-1(25),5,7,9,21,23-hexaen-3-amine);diperchlorate
Also Known As: 1-Adamantylphosphonyldibenzo-17-crown-6 calcium complex, Calcium(2+), bis(6,7,9,10,12,13-hexahydro-20-tricyclo(3.3.1.1(sup 3,7))dec-1-yldibenzo(d,p)(1,3,6,9,12,15,20)hexaoxaphosphacycloheptadecin 20-oxide-O(sup 5),O(sup 8),),O(sup 11), O(sup 14))-, diperchlorate, Calcium(2+), bis(6,7,9,10,12,13-hexahydro-20-tricyclo(3.3.1.1(3,7))dec-1-yldibenzo(d,p)(1,3,6,9,12,15,2)hexaoxaphosphacycloheptadecin 20-oxide-O5,O8,O11,O14)-, diperchlorate, Calcium perchlorate--20-[(adamantan-1-yl)amino]-6,7,9,10,12,13-hexahydro-20H-20lambda~5~-dibenzo[d,p][1,3,6,9,12,15,2]hexaoxaphosphacycloheptadecin-20-one (1/2/2)
Technical Specifications
| Molecular Formula | C56H72CaCl2N2O22P2 |
| Molecular Weight | 1296.3055 g/mol |
| XLogP | 1.34 |
| Topological Polar Surface Area (TPSA) | 318.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 24 |
| Rotatable Bonds | 4 |
| Exact Mass | 1296.3055 Da |
| Heavy Atoms | 85 |
| Complexity | 813.0 |
| SMILES | C1COCCOC2=CC=CC=C2OP(=O)(OC3=CC=CC=C3OCCO1)NC45CC6CC(C4)CC(C6)C5.C1COCCOC2=CC=CC=C2OP(=O)(OC3=CC=CC=C3OCCO1)NC45CC6CC(C4)CC(C6)C5.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Ca+2] |
| InChIKey | AYQRLJVPSUVHGB-UHFFFAOYSA-L |
Chemical Property Profile of 1-Adamantylphosphonyldibenzo-17-crown-6 calcium complex
Property Insights of 1-Adamantylphosphonyldibenzo-17-crown-6 calcium complex
The XLogP value of 1.34 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Adamantylphosphonyldibenzo-17-crown-6 calcium complex. The TPSA of 318.0 Ų indicates high polarity, suggesting 1-Adamantylphosphonyldibenzo-17-crown-6 calcium complex may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-Adamantylphosphonyldibenzo-17-crown-6 calcium complex has 2 hydrogen bond donor(s) and 24 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 1-Adamantylphosphonyldibenzo-17-crown-6 calcium complex?
The CAS number of 1-Adamantylphosphonyldibenzo-17-crown-6 calcium complex is 136370-89-3.
What is the molecular formula of 1-Adamantylphosphonyldibenzo-17-crown-6 calcium complex?
The molecular formula of 1-Adamantylphosphonyldibenzo-17-crown-6 calcium complex is C56H72CaCl2N2O22P2.
What is the molecular weight of 1-Adamantylphosphonyldibenzo-17-crown-6 calcium complex?
The molecular weight of 1-Adamantylphosphonyldibenzo-17-crown-6 calcium complex is 1296.3055 g/mol.
Where can I buy 1-Adamantylphosphonyldibenzo-17-crown-6 calcium complex?
You can request a quote for 1-Adamantylphosphonyldibenzo-17-crown-6 calcium complex directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Adamantylphosphonyldibenzo-17-crown-6 calcium complex?
Yes, CoreyChem provides custom synthesis services for 1-Adamantylphosphonyldibenzo-17-crown-6 calcium complex and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.