TL;DR: Alloferin (CAS 15180-03-7) is a chemical compound with molecular formula C44H50Cl2N4O2 and molecular weight 736.33105 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2E)-2-[(9Z,25Z,38E)-38-(2-hydroxyethylidene)-14,30-bis(prop-2-enyl)-8,24-diaza-14,30-diazoniaundecacyclo[25.5.2.211,14.11,26.110,17.02,7.013,17.018,23.030,33.08,35.024,36]octatriaconta-2,4,6,9,18,20,22,25-octaen-28-ylidene]ethanol dichloride
Also Known As: Alloferin, Dialferin, Allyl-toxiferin, Alcuronium chloride, Alcuronii chloridum
| Molecular Formula | C44H50Cl2N4O2 |
| Molecular Weight | 736.33105 g/mol |
| XLogP | -0.5164 |
| Topological Polar Surface Area (TPSA) | 46.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 736.33105 Da |
| Heavy Atoms | 52 |
| Complexity | 1510.0 |
| SMILES | C=CC[N+]12C3C4(C5=CC=CC=C5N/6C4/C(=C\N7C8/C(=C6)/C9/C(=C\CO)/C[N+]4(C(C8(C5=CC=CC=C75)CC4)C9)CC=C)/C(C3)/C(=C\CO)/C1)CC2.[Cl-].[Cl-] |
| InChIKey | CPYGBGOXCJJJGC-KFXHDRJVSA-L |
The XLogP value of -0.5164 indicates that Alloferin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 46.9 Ų, Alloferin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Alloferin has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Alloferin is 15180-03-7.
The molecular formula of Alloferin is C44H50Cl2N4O2.
The molecular weight of Alloferin is 736.33105 g/mol.
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