ISOCYURONIUM BROMIDE
TL;DR: ISOCYURONIUM BROMIDE (CAS 132684-40-3) is a chemical compound with molecular formula C42H63Br3N6O3 and molecular weight 936.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl-[2-[3,5-bis[2-[benzyl(diethyl)azaniumyl]ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl]-diethylazanium tribromide
Also Known As: ISOCYURONIUM BROMIDE, 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(phenylmethyl)-, tribromide, benzyl-[2-[3,5-bis[2-[benzyl(diethyl)azaniumyl]ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl]-diethylazanium tribromide, benzyl-[2-[3,5-bis[2-[benzyl(diethyl)azaniumyl]ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl]-diethylazanium,tribromide, N-Benzyl-2-(3,5-bis{2-[benzyl(diethyl)azaniumyl]ethyl}-2,4,6-trioxo-1,3,5-triazinan-1-yl)-N,N-diethylethan-1-aminium tribromide
| Molecular Formula | C42H63Br3N6O3 |
|---|---|
| Molecular Weight | 936.25 g/mol |
| LogP | -3.6459 |
| Topological Polar Surface Area | 66.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 21 |
| Exact Mass | 936.25116 |
| Heavy Atoms | 54 |
| Complexity | 1576.5381 |
Chemical Identifiers
| CAS Number | 132684-40-3 |
|---|---|
| SMILES | CC[N+](CC)(CCN1C(=O)N(C(=O)N(C1=O)CC[N+](CC)(CC)CC2=CC=CC=C2)CC[N+](CC)(CC)CC3=CC=CC=C3)CC4=CC=CC=C4.[Br-].[Br-].[Br-] |
Product Overview
ISOCYURONIUM BROMIDE (CAS 132684-40-3), with molecular formula C42H63Br3N6O3 and molecular weight 936.25 g/mol. IUPAC: benzyl-[2-[3,5-bis[2-[benzyl(diethyl)azaniumyl]ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl]-diethylazanium tribromide.
Chemical Property Profile of ISOCYURONIUM BROMIDE
Property Insights of ISOCYURONIUM BROMIDE
The XLogP value of -3.6459 indicates that ISOCYURONIUM BROMIDE is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 66.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ISOCYURONIUM BROMIDE. Following Lipinski's Rule of Five, ISOCYURONIUM BROMIDE has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ISOCYURONIUM BROMIDE?
The CAS number of ISOCYURONIUM BROMIDE is 132684-40-3.
What is the molecular formula of ISOCYURONIUM BROMIDE?
The molecular formula of ISOCYURONIUM BROMIDE is C42H63Br3N6O3.
What is the molecular weight of ISOCYURONIUM BROMIDE?
The molecular weight of ISOCYURONIUM BROMIDE is 936.25 g/mol.
Where can I buy ISOCYURONIUM BROMIDE?
You can request a quote for ISOCYURONIUM BROMIDE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ISOCYURONIUM BROMIDE?
Yes, KEHONG BIO provides custom synthesis services for ISOCYURONIUM BROMIDE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.