Calcium di((Z)-9-octadecenyl) diphosphonate
TL;DR: Calcium di((Z)-9-octadecenyl) diphosphonate (CAS 61392-16-3) is a chemical compound with molecular formula C36H68CaO12P4-6 and molecular weight 856.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
calcium bis(dioxido-oxo-[(Z)-1-phosphonatooctadec-9-enyl]-λ5-phosphane)
Also Known As: EINECS 262-764-3, C18H37O3P.1/2Ca, Calcium di((Z)-9-octadecenyl) diphosphonate, C18-H37-O3-P.1/2Ca, calciumdi[ -9-octadecenyl]diphosphonate
| Molecular Formula | C36H68CaO12P4-6 |
|---|---|
| Molecular Weight | 856.33 g/mol |
| LogP | 5.974 |
| Topological Polar Surface Area | 252.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 34 |
| Exact Mass | 856.32874 |
| Heavy Atoms | 53 |
| Complexity | 956.35223 |
Chemical Identifiers
| CAS Number | 61392-16-3 |
|---|---|
| SMILES | CCCCCCCC/C=C\CCCCCCCC(P(=O)([O-])[O-])P(=O)([O-])[O-].CCCCCCCC/C=C\CCCCCCCC(P(=O)([O-])[O-])P(=O)([O-])[O-].[Ca+2] |
Product Overview
Calcium di((Z)-9-octadecenyl) diphosphonate (CAS 61392-16-3), with molecular formula C36H68CaO12P4-6 and molecular weight 856.33 g/mol. IUPAC: calcium bis(dioxido-oxo-[(Z)-1-phosphonatooctadec-9-enyl]-λ5-phosphane).
Chemical Property Profile of Calcium di((Z)-9-octadecenyl) diphosphonate
Property Insights of Calcium di((Z)-9-octadecenyl) diphosphonate
The XLogP value of 5.974 indicates that Calcium di((Z)-9-octadecenyl) diphosphonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 252.76 Ų indicates high polarity, suggesting Calcium di((Z)-9-octadecenyl) diphosphonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Calcium di((Z)-9-octadecenyl) diphosphonate 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 Calcium di((Z)-9-octadecenyl) diphosphonate?
The CAS number of Calcium di((Z)-9-octadecenyl) diphosphonate is 61392-16-3.
What is the molecular formula of Calcium di((Z)-9-octadecenyl) diphosphonate?
The molecular formula of Calcium di((Z)-9-octadecenyl) diphosphonate is C36H68CaO12P4-6.
What is the molecular weight of Calcium di((Z)-9-octadecenyl) diphosphonate?
The molecular weight of Calcium di((Z)-9-octadecenyl) diphosphonate is 856.33 g/mol.
Where can I buy Calcium di((Z)-9-octadecenyl) diphosphonate?
You can request a quote for Calcium di((Z)-9-octadecenyl) diphosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Calcium di((Z)-9-octadecenyl) diphosphonate?
Yes, KEHONG BIO provides custom synthesis services for Calcium di((Z)-9-octadecenyl) diphosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.