TL;DR: RefChem:319107 (CAS 21078-12-6) is a chemical compound with molecular formula C17H35Br2N4O3P and molecular weight 532.08136 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[(2-methoxyphenoxy)-[2-(trimethylazaniumyl)ethylamino]phosphoryl]amino]ethyl-trimethylazanium dibromide
Also Known As: 9003 HC, ((o-Methoxyphenyl)phosphinicobis(iminoethylene))bis(trimethylammonium bromide), Ammonium, (phosphinicobis(iminoethylene))bis(trimethyl-, dibromide, o-methoxyphenyl ester, 2-[[(2-methoxyphenoxy)-[2-(trimethylazaniumyl)ethylamino]phosphoryl]amino]ethyl-trimethylazanium dibromide, 2,2'-{[(2-Methoxyphenoxy)phosphoryl]bis(azanediyl)}bis(N,N,N-trimethylethan-1-aminium) dibromide
| Molecular Formula | C17H35Br2N4O3P |
| Molecular Weight | 532.08136 g/mol |
| XLogP | -4.22 |
| Topological Polar Surface Area (TPSA) | 59.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 534.0793 Da |
| Heavy Atoms | 27 |
| Complexity | 411.0 |
| SMILES | C[N+](C)(C)CCNP(=O)(NCC[N+](C)(C)C)OC1=CC=CC=C1OC.[Br-].[Br-] |
| InChIKey | PBRBWMWUHYAWSD-UHFFFAOYSA-L |
The XLogP value of -4.22 indicates that RefChem:319107 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 59.6 Ų, RefChem:319107 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:319107 has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of RefChem:319107 is 21078-12-6.
The molecular formula of RefChem:319107 is C17H35Br2N4O3P.
The molecular weight of RefChem:319107 is 532.08136 g/mol.
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