TL;DR: 1,3,5-Triazine-1,3,5(2H,4H,6H)-triethanaminium, N,N,N',N',N'',N''-hexamethyl-2,4,6-trioxo-N,N',N''-tris(2-bromophenyl)methyl)-, tribromide (CAS 132706-10-6) is a chemical compound with molecular formula C36H48Br6N6O3 and molecular weight 1085.8888 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[3,5-bis[2-[(4-bromophenyl)methyl-dimethylazaniumyl]ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl-[(3-bromophenyl)methyl]-dimethylazanium tribromide
Also Known As: 1,3,5-Triazine-1,3,5(2H,4H,6H)-triethanaminium, N,N,N',N',N'',N''-hexamethyl-2,4,6-trioxo-N,N',N''-tris(2-bromophenyl)methyl)-, tribromide, 2,2'-[5-(2-{[(3-Bromophenyl)methyl](dimethyl)azaniumyl}ethyl)-2,4,6-trioxo-1,3,5-triazinane-1,3-diyl]bis{N-[(4-bromophenyl)methyl]-N,N-dimethylethan-1-aminium} tribromide, 2,2'-[5-(2-{[(3-Bromophenyl)methyl]di(methyl)azaniumyl}ethyl)-2,4,6-trioxo-1,3,5-triazinane-1,3-diyl]bis{N-[(4-bromophenyl)methyl]-N,N-dimethylethan-1-aminium} tribromide, 2-[3,5-bis[2-[(4-bromophenyl)methyl-dimethylazaniumyl]ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl-[(3-bromophenyl)methyl]-dimethylazanium tribromide
| Molecular Formula | C36H48Br6N6O3 |
| Molecular Weight | 1085.8888 g/mol |
| XLogP | -3.699 |
| Topological Polar Surface Area (TPSA) | 60.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 15 |
| Exact Mass | 1085.8888 Da |
| Heavy Atoms | 51 |
| Complexity | 1030.0 |
| SMILES | C[N+](C)(CCN1C(=O)N(C(=O)N(C1=O)CC[N+](C)(C)CC2=CC(=CC=C2)Br)CC[N+](C)(C)CC3=CC=C(C=C3)Br)CC4=CC=C(C=C4)Br.[Br-].[Br-].[Br-] |
| InChIKey | HMUGPBAMVGRTPP-UHFFFAOYSA-K |
The XLogP value of -3.699 indicates that 1,3,5-Triazine-1,3,5(2H,4H,6H)-triethanaminium, N,N,N',N',N'',N''-hexamethyl-2,4,6-trioxo-N,N',N''-tris(2-bromophenyl)methyl)-, tribromide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 60.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3,5-Triazine-1,3,5(2H,4H,6H)-triethanaminium, N,N,N',N',N'',N''-hexamethyl-2,4,6-trioxo-N,N',N''-tris(2-bromophenyl)methyl)-, tribromide. Following Lipinski's Rule of Five, 1,3,5-Triazine-1,3,5(2H,4H,6H)-triethanaminium, N,N,N',N',N'',N''-hexamethyl-2,4,6-trioxo-N,N',N''-tris(2-bromophenyl)methyl)-, tribromide has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1,3,5-Triazine-1,3,5(2H,4H,6H)-triethanaminium, N,N,N',N',N'',N''-hexamethyl-2,4,6-trioxo-N,N',N''-tris(2-bromophenyl)methyl)-, tribromide is 132706-10-6.
The molecular formula of 1,3,5-Triazine-1,3,5(2H,4H,6H)-triethanaminium, N,N,N',N',N'',N''-hexamethyl-2,4,6-trioxo-N,N',N''-tris(2-bromophenyl)methyl)-, tribromide is C36H48Br6N6O3.
The molecular weight of 1,3,5-Triazine-1,3,5(2H,4H,6H)-triethanaminium, N,N,N',N',N'',N''-hexamethyl-2,4,6-trioxo-N,N',N''-tris(2-bromophenyl)methyl)-, tribromide is 1085.8888 g/mol.
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