TL;DR: Phosphonium, 1,1'-(1,2-ethanediyl)bis[tris(2-cyanoethyl)-, bromide (1:2) (CAS 10310-38-0) is a chemical compound with molecular formula C20H28Br2N6P2 and molecular weight 572.0217 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tris(2-cyanoethyl)-[2-[tris(2-cyanoethyl)phosphaniumyl]ethyl]phosphanium dibromide
Also Known As: Cyagard RF-1, Ethylenebis(tris(2-cyanoethyl)phosphonium bromide), Ethylenebis[tris(2-cyanoethyl)phosphonium] dibromide, Phosphonium, 1,2-ethanediylbis(tris(2-cyanoethyl)-, dibromide, Ethylenebis(tris(2-cyanoethyl)phosphonium) dibromide
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C20H28Br2N6P2 |
| Molecular Weight | 572.0217 g/mol |
| XLogP | -1.49 |
| Topological Polar Surface Area (TPSA) | 143.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 15 |
| Exact Mass | 574.0197 Da |
| Heavy Atoms | 30 |
| Complexity | 609.0 |
| SMILES | C(C[P+](CCC#N)(CCC#N)CC[P+](CCC#N)(CCC#N)CCC#N)C#N.[Br-].[Br-] |
| InChIKey | ASPCPFMPVFIZFT-UHFFFAOYSA-L |
The XLogP value of -1.49 indicates that Phosphonium, 1,1'-(1,2-ethanediyl)bis[tris(2-cyanoethyl)-, bromide (1:2) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 143.0 Ų indicates high polarity, suggesting Phosphonium, 1,1'-(1,2-ethanediyl)bis[tris(2-cyanoethyl)-, bromide (1:2) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Phosphonium, 1,1'-(1,2-ethanediyl)bis[tris(2-cyanoethyl)-, bromide (1:2) has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Phosphonium, 1,1'-(1,2-ethanediyl)bis[tris(2-cyanoethyl)-, bromide (1:2) is 10310-38-0.
The molecular formula of Phosphonium, 1,1'-(1,2-ethanediyl)bis[tris(2-cyanoethyl)-, bromide (1:2) is C20H28Br2N6P2.
The molecular weight of Phosphonium, 1,1'-(1,2-ethanediyl)bis[tris(2-cyanoethyl)-, bromide (1:2) is 572.0217 g/mol.
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