TL;DR: Diamsar chelate (CAS 154599-98-1) is a chemical compound with molecular formula C14H34N8 and molecular weight 314.29065 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,6,10,13,16,19-hexazabicyclo[6.6.6]icosane-1,8-diamine
Also Known As: Diamsar chelate, Diamsar, NH2-Sar-cage, diamine-sarcophagine, Diamsar Pentahydrate
| Molecular Formula | C14H34N8 |
| Molecular Weight | 314.29065 g/mol |
| XLogP | -4.9 |
| Topological Polar Surface Area (TPSA) | 124.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 0 |
| Exact Mass | 314.29065 Da |
| Heavy Atoms | 22 |
| Complexity | 238.0 |
| SMILES | C1CNCC2(CNCCNCC(CN1)(CNCCNC2)N)N |
| InChIKey | UQQQAKFVWNQYTP-UHFFFAOYSA-N |
The XLogP value of -4.9 indicates that Diamsar chelate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Diamsar chelate. Following Lipinski's Rule of Five, Diamsar chelate has 8 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Diamsar chelate is 154599-98-1.
The molecular formula of Diamsar chelate is C14H34N8.
The molecular weight of Diamsar chelate is 314.29065 g/mol.
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