TL;DR: RefChem:349495 (CAS 68510-43-0) is a chemical compound with molecular formula C36H24FeN12O4S and molecular weight 776.1113 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
iron(2+);bis(2,4,6-tripyridin-2-yl-1,3,5-triazine);sulfate
Also Known As: TPTZ FERROUS SULFATE, Ferrous, bis(2,4,6-tri(2-pyridyl)-1,3,5-triazine)-, sulfate, Iron(2+), bis(2,4,6-tri-2-pyridinyl-1,3,5-triazine-N1,N2,N6)-, (OC-6-1'2)-, sulfate (1:1), Iron(2+), bis[2,6-di(2-pyridinyl-.kappa.N)-4-(2-pyridinyl)-1,3,5-triazine-.kappa.N1]-, (OC-6-1'2)-, sulfate (1:1), Iron(2+), bis(2,6-di(2-pyridinyl-kappaN)-4-(2-pyridinyl)-1,3,5-triazine-kappaN1)-, (OC-6-1'2)-, sulfate (1:1)
| Molecular Formula | C36H24FeN12O4S |
| Molecular Weight | 776.1113 g/mol |
| XLogP | 4.77 |
| Topological Polar Surface Area (TPSA) | 243.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 6 |
| Exact Mass | 776.1113 Da |
| Heavy Atoms | 54 |
| Complexity | 385.0 |
| SMILES | C1=CC=NC(=C1)C2=NC(=NC(=N2)C3=CC=CC=N3)C4=CC=CC=N4.C1=CC=NC(=C1)C2=NC(=NC(=N2)C3=CC=CC=N3)C4=CC=CC=N4.[O-]S(=O)(=O)[O-].[Fe+2] |
| InChIKey | MHBZPZCLMXLZSG-UHFFFAOYSA-L |
The XLogP value of 4.77 indicates that RefChem:349495 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 243.0 Ų indicates high polarity, suggesting RefChem:349495 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:349495 has 0 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of RefChem:349495 is 68510-43-0.
The molecular formula of RefChem:349495 is C36H24FeN12O4S.
The molecular weight of RefChem:349495 is 776.1113 g/mol.
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