TL;DR: CALTERIDOL CALCIUM (CAS 121915-83-1) is a chemical compound with molecular formula C17H29Ca2N4O7+ and molecular weight 481.1288 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
dicalcium;2-[4,7-bis(carboxylatomethyl)-10-(2-hydroxypropyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate
Also Known As: CALTERIDOL CALCIUM, Calteridol calcium [USAN:BAN], Calciate(1-),[10-[2-(hydroxy-kO)propyl]-1,4,7,10-tetraazacyclododecane-1,4,7-triacetato(3-)-kN1,kN4,kN7,kN10,kO1,kO4,kO7]-, calcium (2:1) (9CI), (+-)-Calcium bis((10-(2-hydroxypropyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triacetato(3-))calciate(1-)), dicalcium 2-[4-(2-hydroxypropyl)-7,10-bis(2-oxido-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate
| Molecular Formula | C17H29Ca2N4O7+ |
| Molecular Weight | 481.1288 g/mol |
| XLogP | -6.92 |
| Topological Polar Surface Area (TPSA) | 154.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 5 |
| Exact Mass | 481.1288 Da |
| Heavy Atoms | 30 |
| Complexity | 471.0 |
| SMILES | CC(CN1CCN(CCN(CCN(CC1)CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])O.[Ca+2].[Ca+2] |
| InChIKey | JHSHDYMOCFOAPN-UHFFFAOYSA-K |
The XLogP value of -6.92 indicates that CALTERIDOL CALCIUM is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 154.0 Ų indicates high polarity, suggesting CALTERIDOL CALCIUM may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CALTERIDOL CALCIUM has 1 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of CALTERIDOL CALCIUM is 121915-83-1.
The molecular formula of CALTERIDOL CALCIUM is C17H29Ca2N4O7+.
The molecular weight of CALTERIDOL CALCIUM is 481.1288 g/mol.
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