TL;DR: RefChem:235610 (CAS 95521-13-4) is a chemical compound with molecular formula C30H66I2N2O4Si2 and molecular weight 828.2651 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[4-[2-[dimethyl(3-triethylsilylpropyl)azaniumyl]ethoxy]-4-oxobutanoyl]oxyethyl-dimethyl-(3-triethylsilylpropyl)azanium diiodide
Also Known As: 10,15-Dioxa-7-azonia-3-silaheptadecan-17-aminium, 3,3-diethyl-11,14-dioxo-N,N,7,7-tetramethyl-N-(3-(triethylsilyl)propyl)-, diiodide, 2-[4-[2-[dimethyl(3-triethylsilylpropyl)azaniumyl]ethoxy]-4-oxobutanoyl]oxyethyl-dimethyl-(3-triethylsilylpropyl)azanium diiodide, 10,15-DIOXA-7-AZONIA-3-SILAHEPTADECAN-17-AMINIUM, 3,3-DIETHYL-11,14-DIOXO-N,N,7,, N,N'-[(1,4-Dioxobutane-1,4-diyl)bis(oxyethane-2,1-diyl)]bis[N,N-dimethyl-3-(triethylsilyl)propan-1-aminium] diiodide
| Molecular Formula | C30H66I2N2O4Si2 |
| Molecular Weight | 828.2651 g/mol |
| XLogP | 0.81 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 25 |
| Exact Mass | 828.2651 Da |
| Heavy Atoms | 40 |
| Complexity | 590.0 |
| SMILES | CC[Si](CC)(CC)CCC[N+](C)(C)CCOC(=O)CCC(=O)OCC[N+](C)(C)CCC[Si](CC)(CC)CC.[I-].[I-] |
| InChIKey | JRKWHBFFJXZSKM-UHFFFAOYSA-L |
The XLogP value of 0.81 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:235610. With a topological polar surface area (TPSA) of 52.6 Ų, RefChem:235610 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:235610 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of RefChem:235610 is 95521-13-4.
The molecular formula of RefChem:235610 is C30H66I2N2O4Si2.
The molecular weight of RefChem:235610 is 828.2651 g/mol.
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