4',4''-Bis(dimethylbenzylammonium)dibenzo-18-crown-6 dibromide
TL;DR: 4',4''-Bis(dimethylbenzylammonium)dibenzo-18-crown-6 dibromide (CAS 125272-62-0) is a chemical compound with molecular formula C38H48Br2N2O6 and molecular weight 786.1879 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
benzyl-[25-[benzyl(dimethyl)azaniumyl]-2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaen-11-yl]-dimethylazanium dibromide
Also Known As: 4',4''-Bis(dimethylbenzylammonium)dibenzo-18-crown-6 dibromide, 6,7,9,10,17,18,20,21-Octahydro-N,N,N',N'-tetramethyl-N,N'-bis(phenylmethyl)dibenzo(b,k)(1,4,7,10,13,16)hexaoxacyclooctadecin-2,14-diaminium dibromide, Dibenzo(b,k)(1,4,7,10,13,16)hexaoxacyclooctadecin-2,14-diaminium, 6,7,9,10,17,18,20,21-octahydro-N,N'-bis(phenylmethyl)-N,N,N',N'-tetramethyl-, dibromide, Dibenzo(b,k)(1,4,7,10,13,16)hexaoxacyclooctadecin-2,14-diaminium, 6,7,9,10,17,18,20,21-octahydro-N,N,N',N'-tetramethyl-N,N'-bis(phenylmethyl)-, dibromide, N~2~,N~14~-Dibenzyl-N~2~,N~2~,N~14~,N~14~-tetramethyl-6,7,9,10,17,18,20,21-octahydrodibenzo[b,k][1,4,7,10,13,16]hexaoxacyclooctadecine-2,14-bis(aminium) dibromide
Technical Specifications
| Molecular Formula | C38H48Br2N2O6 |
| Molecular Weight | 786.1879 g/mol |
| XLogP | 0.491 |
| Topological Polar Surface Area (TPSA) | 55.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 786.1879 Da |
| Heavy Atoms | 48 |
| Complexity | 779.0 |
| SMILES | C[N+](C)(CC1=CC=CC=C1)C2=CC3=C(C=C2)OCCOCCOC4=C(C=C(C=C4)[N+](C)(C)CC5=CC=CC=C5)OCCOCCO3.[Br-].[Br-] |
| InChIKey | BUUIHXGPUZDZMQ-UHFFFAOYSA-L |
Chemical Property Profile of 4',4''-Bis(dimethylbenzylammonium)dibenzo-18-crown-6 dibromide
Property Insights of 4',4''-Bis(dimethylbenzylammonium)dibenzo-18-crown-6 dibromide
The XLogP value of 0.491 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4',4''-Bis(dimethylbenzylammonium)dibenzo-18-crown-6 dibromide. With a topological polar surface area (TPSA) of 55.4 Ų, 4',4''-Bis(dimethylbenzylammonium)dibenzo-18-crown-6 dibromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4',4''-Bis(dimethylbenzylammonium)dibenzo-18-crown-6 dibromide has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 4',4''-Bis(dimethylbenzylammonium)dibenzo-18-crown-6 dibromide?
The CAS number of 4',4''-Bis(dimethylbenzylammonium)dibenzo-18-crown-6 dibromide is 125272-62-0.
What is the molecular formula of 4',4''-Bis(dimethylbenzylammonium)dibenzo-18-crown-6 dibromide?
The molecular formula of 4',4''-Bis(dimethylbenzylammonium)dibenzo-18-crown-6 dibromide is C38H48Br2N2O6.
What is the molecular weight of 4',4''-Bis(dimethylbenzylammonium)dibenzo-18-crown-6 dibromide?
The molecular weight of 4',4''-Bis(dimethylbenzylammonium)dibenzo-18-crown-6 dibromide is 786.1879 g/mol.
Where can I buy 4',4''-Bis(dimethylbenzylammonium)dibenzo-18-crown-6 dibromide?
You can request a quote for 4',4''-Bis(dimethylbenzylammonium)dibenzo-18-crown-6 dibromide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4',4''-Bis(dimethylbenzylammonium)dibenzo-18-crown-6 dibromide?
Yes, CoreyChem provides custom synthesis services for 4',4''-Bis(dimethylbenzylammonium)dibenzo-18-crown-6 dibromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.