RefChem:1080707
TL;DR: RefChem:1080707 (CAS 135719-18-5) is a chemical compound with molecular formula C42H62CaCl2N2O18P2 and molecular weight 1054.2476 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
calcium;N-[[2-[2-[2-[2-[2-[(1-adamantylamino)-ethoxyphosphoryl]oxyphenoxy]ethoxy]ethoxy]ethoxy]phenoxy]-ethoxyphosphoryl]adamantan-1-amine;diperchlorate
Also Known As: Calcium(2+), (1,2-ethanediylbis(oxy-2,1-ethanediyloxy)-2,1-phenylene)bis(ethyl tricyclo(3.3.1.1(sup 3,7))dec-1-ylphosphoramidate))-, diperchlorate, 2,2'-(Oxatriethylenedioxa)-di-(phenylethyl)-N-adamantylamido phosphate calcium complex, Phosphoramidic acid, tricyclo(3.3.1.13,7)dec-1-yl-, 1,2-ethanediylbis(oxy-2,1-ethanediyloxy-2,1-phenylene) diethyl ester, calcium complex, calcium N-[[2-[2-[2-[2-[2-[(1-adamantylamino)-ethoxyphosphoryl]oxyphenoxy]ethoxy]ethoxy]ethoxy]phenoxy]-ethoxyphosphoryl]adamantan-1-amine diperchlorate, Calciumn-[[2-[2-[2-[2-[2-[(1-adamantylamino)-ethoxyphosphoryl]oxyphenoxy]ethoxy]ethoxy]ethoxy]phenoxy]-ethoxyphosphoryl]adamantan-1-aminediperchlorate
Technical Specifications
| Molecular Formula | C42H62CaCl2N2O18P2 |
| Molecular Weight | 1054.2476 g/mol |
| XLogP | -0.55 |
| Topological Polar Surface Area (TPSA) | 281.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 23 |
| Exact Mass | 1054.2476 Da |
| Heavy Atoms | 67 |
| Complexity | 1280.0 |
| SMILES | CCOP(=O)(NC12CC3CC(C1)CC(C3)C2)OC4=CC=CC=C4OCCOCCOCCOC5=CC=CC=C5OP(=O)(NC67CC8CC(C6)CC(C8)C7)OCC.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Ca+2] |
| InChIKey | NAPPLPSHCUAOSU-UHFFFAOYSA-L |
Chemical Property Profile of RefChem:1080707
Property Insights of RefChem:1080707
The XLogP value of -0.55 indicates that RefChem:1080707 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 281.0 Ų indicates high polarity, suggesting RefChem:1080707 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1080707 has 2 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of RefChem:1080707?
The CAS number of RefChem:1080707 is 135719-18-5.
What is the molecular formula of RefChem:1080707?
The molecular formula of RefChem:1080707 is C42H62CaCl2N2O18P2.
What is the molecular weight of RefChem:1080707?
The molecular weight of RefChem:1080707 is 1054.2476 g/mol.
Where can I buy RefChem:1080707?
You can request a quote for RefChem:1080707 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:1080707?
Yes, CoreyChem provides custom synthesis services for RefChem:1080707 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.