TL;DR: DM-Nitrophen tertasodium (CAS 291517-40-3) is a chemical compound with molecular formula C18H19N3Na4O12 and molecular weight 561.05597 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tetrasodium;2-[[2-[bis(carboxylatomethyl)amino]-2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-(carboxylatomethyl)amino]acetate
Also Known As: DM-Nitrophen tertasodium, DM-Nitrophen (tertasodium), Dimethoxynitrophenamine, 4Na, HY-126789A, DM-NITROPHEN™ Reagent, Tetrasodium Salt
| Molecular Formula | C18H19N3Na4O12 |
| Molecular Weight | 561.05597 g/mol |
| XLogP | -17.73 |
| Topological Polar Surface Area (TPSA) | 231.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 14 |
| Exact Mass | 561.05597 Da |
| Heavy Atoms | 37 |
| Complexity | 713.0 |
| SMILES | COC1=C(C=C(C(=C1)C(CN(CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-])[N+](=O)[O-])OC.[Na+].[Na+].[Na+].[Na+] |
| InChIKey | KCTLZBKLHCBAMY-UHFFFAOYSA-J |
The XLogP value of -17.73 indicates that DM-Nitrophen tertasodium is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 231.0 Ų indicates high polarity, suggesting DM-Nitrophen tertasodium may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, DM-Nitrophen tertasodium has 0 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of DM-Nitrophen tertasodium is 291517-40-3.
The molecular formula of DM-Nitrophen tertasodium is C18H19N3Na4O12.
The molecular weight of DM-Nitrophen tertasodium is 561.05597 g/mol.
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