TL;DR: RefChem:318933 (CAS 101015-22-9) is a chemical compound with molecular formula C21H38I2N4O2 and molecular weight 632.1084 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-[3-[[2-[diethyl(methyl)azaniumyl]acetyl]amino]-4-methylanilino]-2-oxoethyl]-diethyl-methylazanium diiodide
Also Known As: Ammonium, (4-methyl-m-phenylenebis(iminocarbonylmethylene))bis(diethylmethyl-, diiodide, (4-Methyl-m-phenylenebis(iminocarbonylmethylene))bis(diethylmethylammonium iodide), 2,2'-[(4-methylbenzene-1,3-diyl)diimino]bis(n,n-diethyl-n-methyl-2-oxoethanaminium) diiodide, [2-[3-[[2-[diethyl(methyl)azaniumyl]acetyl]amino]-4-methylanilino]-2-oxoethyl]-diethyl-methylazanium;diiodide, [2-[3-[[2-[diethyl(methyl)azaniumyl]acetyl]amino]-4-methylanilino]-2-oxoethyl]-diethyl-methylazanium
| Molecular Formula | C21H38I2N4O2 |
| Molecular Weight | 632.1084 g/mol |
| XLogP | -3.15 |
| Topological Polar Surface Area (TPSA) | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 632.1084 Da |
| Heavy Atoms | 29 |
| Complexity | 487.0 |
| SMILES | CC[N+](C)(CC)CC(=O)NC1=CC(=C(C=C1)C)NC(=O)C[N+](C)(CC)CC.[I-].[I-] |
| InChIKey | XSBLQPYMMGTGKH-UHFFFAOYSA-N |
The XLogP value of -3.15 indicates that RefChem:318933 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 58.2 Ų, RefChem:318933 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:318933 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of RefChem:318933 is 101015-22-9.
The molecular formula of RefChem:318933 is C21H38I2N4O2.
The molecular weight of RefChem:318933 is 632.1084 g/mol.
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