Calcium didodecyl bisphosphonate
TL;DR: Calcium didodecyl bisphosphonate (CAS 61392-11-8) is a chemical compound with molecular formula C24H48CaO12P4-6 and molecular weight 692.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
calcium bis(dioxido-oxo-(1-phosphonatododecyl)-λ5-phosphane)
Also Known As: Calcium didodecyl bisphosphonate, calciumdidodecylbisphosphonate, EINECS 262-760-1, C12H27O3P.1/2Ca, C12-H27-O3-P.1/2Ca
| Molecular Formula | C24H48CaO12P4-6 |
|---|---|
| Molecular Weight | 692.17 g/mol |
| LogP | 1.7408 |
| Topological Polar Surface Area | 252.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 24 |
| Exact Mass | 692.17224 |
| Heavy Atoms | 41 |
| Complexity | 698.461 |
Chemical Identifiers
| CAS Number | 61392-11-8 |
|---|---|
| SMILES | CCCCCCCCCCCC(P(=O)([O-])[O-])P(=O)([O-])[O-].CCCCCCCCCCCC(P(=O)([O-])[O-])P(=O)([O-])[O-].[Ca+2] |
Product Overview
Calcium didodecyl bisphosphonate (CAS 61392-11-8), with molecular formula C24H48CaO12P4-6 and molecular weight 692.17 g/mol. IUPAC: calcium bis(dioxido-oxo-(1-phosphonatododecyl)-λ5-phosphane).
Chemical Property Profile of Calcium didodecyl bisphosphonate
Property Insights of Calcium didodecyl bisphosphonate
The XLogP value of 1.7408 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Calcium didodecyl bisphosphonate. The TPSA of 252.76 Ų indicates high polarity, suggesting Calcium didodecyl bisphosphonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Calcium didodecyl bisphosphonate 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 didodecyl bisphosphonate?
The CAS number of Calcium didodecyl bisphosphonate is 61392-11-8.
What is the molecular formula of Calcium didodecyl bisphosphonate?
The molecular formula of Calcium didodecyl bisphosphonate is C24H48CaO12P4-6.
What is the molecular weight of Calcium didodecyl bisphosphonate?
The molecular weight of Calcium didodecyl bisphosphonate is 692.17 g/mol.
Where can I buy Calcium didodecyl bisphosphonate?
You can request a quote for Calcium didodecyl bisphosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Calcium didodecyl bisphosphonate?
Yes, KEHONG BIO provides custom synthesis services for Calcium didodecyl bisphosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.