1,3,5-Triazine-1,3,5(2H,4H,6H)-triethanaminium, N,N,N',N',N'',N''-hexaethyl-2,4,6-trioxo-N,N',N''-tris((4-nitrophenyl)methyl)-, tribromide
TL;DR: 1,3,5-Triazine-1,3,5(2H,4H,6H)-triethanaminium, N,N,N',N',N'',N''-hexaethyl-2,4,6-trioxo-N,N',N''-tris((4-nitrophenyl)methyl)-, tribromide (CAS 132684-44-7) is a chemical compound with molecular formula C42H60Br3N9O9 and molecular weight 1071.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3,5-bis[2-[diethyl-[(4-nitrophenyl)methyl]azaniumyl]ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl-diethyl-[(3-nitrophenyl)methyl]azanium tribromide
Also Known As: 1,3,5-Triazine-1,3,5(2H,4H,6H)-triethanaminium, N,N,N',N',N'',N''-hexaethyl-2,4,6-trioxo-N,N',N''-tris((4-nitrophenyl)methyl)-, tribromide, 2-[3,5-bis[2-[diethyl-[(4-nitrophenyl)methyl]azaniumyl]ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl-diethyl-[(3-nitrophenyl)methyl]azanium tribromide, RefChem:1052571
| Molecular Formula | C42H60Br3N9O9 |
|---|---|
| Molecular Weight | 1071.21 g/mol |
| LogP | -3.9213 |
| Topological Polar Surface Area | 195.42 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 24 |
| Exact Mass | 1071.2064 |
| Heavy Atoms | 63 |
| Complexity | 2189.3752 |
Chemical Identifiers
| CAS Number | 132684-44-7 |
|---|---|
| SMILES | CC[N+](CC)(CCN1C(=O)N(C(=O)N(C1=O)CC[N+](CC)(CC)CC2=CC(=CC=C2)[N+](=O)[O-])CC[N+](CC)(CC)CC3=CC=C(C=C3)[N+](=O)[O-])CC4=CC=C(C=C4)[N+](=O)[O-].[Br-].[Br-].[Br-] |
Product Overview
1,3,5-Triazine-1,3,5(2H,4H,6H)-triethanaminium, N,N,N',N',N'',N''-hexaethyl-2,4,6-trioxo-N,N',N''-tris((4-nitrophenyl)methyl)-, tribromide (CAS 132684-44-7), with molecular formula C42H60Br3N9O9 and molecular weight 1071.21 g/mol. IUPAC: 2-[3,5-bis[2-[diethyl-[(4-nitrophenyl)methyl]azaniumyl]ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl-diethyl-[(3-nitrophenyl)methyl]azanium tribromide.
Chemical Property Profile of 1,3,5-Triazine-1,3,5(2H,4H,6H)-triethanaminium, N,N,N',N',N'',N''-hexaethyl-2,4,6-trioxo-N,N',N''-tris((4-nitrophenyl)methyl)-, tribromide
Property Insights of 1,3,5-Triazine-1,3,5(2H,4H,6H)-triethanaminium, N,N,N',N',N'',N''-hexaethyl-2,4,6-trioxo-N,N',N''-tris((4-nitrophenyl)methyl)-, tribromide
The XLogP value of -3.9213 indicates that 1,3,5-Triazine-1,3,5(2H,4H,6H)-triethanaminium, N,N,N',N',N'',N''-hexaethyl-2,4,6-trioxo-N,N',N''-tris((4-nitrophenyl)methyl)-, tribromide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 195.42 Ų indicates high polarity, suggesting 1,3,5-Triazine-1,3,5(2H,4H,6H)-triethanaminium, N,N,N',N',N'',N''-hexaethyl-2,4,6-trioxo-N,N',N''-tris((4-nitrophenyl)methyl)-, tribromide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,3,5-Triazine-1,3,5(2H,4H,6H)-triethanaminium, N,N,N',N',N'',N''-hexaethyl-2,4,6-trioxo-N,N',N''-tris((4-nitrophenyl)methyl)-, tribromide has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,3,5-Triazine-1,3,5(2H,4H,6H)-triethanaminium, N,N,N',N',N'',N''-hexaethyl-2,4,6-trioxo-N,N',N''-tris((4-nitrophenyl)methyl)-, tribromide?
The CAS number of 1,3,5-Triazine-1,3,5(2H,4H,6H)-triethanaminium, N,N,N',N',N'',N''-hexaethyl-2,4,6-trioxo-N,N',N''-tris((4-nitrophenyl)methyl)-, tribromide is 132684-44-7.
What is the molecular formula of 1,3,5-Triazine-1,3,5(2H,4H,6H)-triethanaminium, N,N,N',N',N'',N''-hexaethyl-2,4,6-trioxo-N,N',N''-tris((4-nitrophenyl)methyl)-, tribromide?
The molecular formula of 1,3,5-Triazine-1,3,5(2H,4H,6H)-triethanaminium, N,N,N',N',N'',N''-hexaethyl-2,4,6-trioxo-N,N',N''-tris((4-nitrophenyl)methyl)-, tribromide is C42H60Br3N9O9.
What is the molecular weight of 1,3,5-Triazine-1,3,5(2H,4H,6H)-triethanaminium, N,N,N',N',N'',N''-hexaethyl-2,4,6-trioxo-N,N',N''-tris((4-nitrophenyl)methyl)-, tribromide?
The molecular weight of 1,3,5-Triazine-1,3,5(2H,4H,6H)-triethanaminium, N,N,N',N',N'',N''-hexaethyl-2,4,6-trioxo-N,N',N''-tris((4-nitrophenyl)methyl)-, tribromide is 1071.21 g/mol.
Where can I buy 1,3,5-Triazine-1,3,5(2H,4H,6H)-triethanaminium, N,N,N',N',N'',N''-hexaethyl-2,4,6-trioxo-N,N',N''-tris((4-nitrophenyl)methyl)-, tribromide?
You can request a quote for 1,3,5-Triazine-1,3,5(2H,4H,6H)-triethanaminium, N,N,N',N',N'',N''-hexaethyl-2,4,6-trioxo-N,N',N''-tris((4-nitrophenyl)methyl)-, tribromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,5-Triazine-1,3,5(2H,4H,6H)-triethanaminium, N,N,N',N',N'',N''-hexaethyl-2,4,6-trioxo-N,N',N''-tris((4-nitrophenyl)methyl)-, tribromide?
Yes, KEHONG BIO provides custom synthesis services for 1,3,5-Triazine-1,3,5(2H,4H,6H)-triethanaminium, N,N,N',N',N'',N''-hexaethyl-2,4,6-trioxo-N,N',N''-tris((4-nitrophenyl)methyl)-, tribromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.